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Details

Stereochemistry RACEMIC
Molecular Formula C18H20O2
Molecular Weight 268.3502
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4'-HYDROXYPHENYL)-2,2,4-TRIMETHYLCHROMAN

SMILES

CC1(C)CC(C)(C2=CC=C(O)C=C2)C3=CC=CC=C3O1

InChI

InChIKey=KXYDGGNWZUHESZ-UHFFFAOYSA-N
InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H20O2
Molecular Weight 268.3502
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Resolution of (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization.
2005 Jan
A double quantum (129)Xe NMR experiment for probing xenon in multiply-occupied cavities of solid-state inclusion compounds.
2007 Mar 7
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:02:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:02:31 GMT 2023
Record UNII
90766708Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4'-HYDROXYPHENYL)-2,2,4-TRIMETHYLCHROMAN
Common Name English
NSC-527817
Code English
4-(3,4-DIHYDRO-2,2,4-TRIMETHYL-2H-1-BENZOPYRAN-4-YL)PHENOL
Systematic Name English
4-P-HYDROXYPHENYL-2,2,4-TRIMETHYLCHROMAN
Systematic Name English
PHENOL, 4-(3,4-DIHYDRO-2,2,4-TRIMETHYL-2H-1-BENZOPYRAN-4-YL)-
Systematic Name English
NSC-39757
Code English
DIANIN'S COMPOUND [MI]
Common Name English
DIANIN'S COMPOUND
MI  
Common Name English
4-(4-HYDROXYPHENYL)-2,2,4-TRIMETHYLCHROMAN
Systematic Name English
CHROMAN I
Common Name English
NSC-46014
Code English
Code System Code Type Description
NSC
527817
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
FDA UNII
90766708Z6
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
WIKIPEDIA
Dianin's compound
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
CAS
472-41-3
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
CHEBI
33216
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
PUBCHEM
97788
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID30883388
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
MERCK INDEX
m4261
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY Merck Index
NSC
46014
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
NSC
39757
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-450-9
Created by admin on Sat Dec 16 10:02:31 GMT 2023 , Edited by admin on Sat Dec 16 10:02:31 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE