U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C16H16
Molecular Weight 208.2982
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-3-PHENYLINDANE, TRANS-

SMILES

C[C@@H]1C[C@H](C2=C1C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=JHIDJKSBZPNVKZ-WBMJQRKESA-N
InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3/t12-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16
Molecular Weight 208.2982
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:29:06 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:06 GMT 2023
Record UNII
YE6D1786Q7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYL-3-PHENYLINDANE, TRANS-
Systematic Name English
2,3-DIHYDRO-1-METHYL-3-PHENYL-1H-INDENE, TRANS-
Systematic Name English
INDAN, 1-METHYL-3-PHENYL-, TRANS-
Systematic Name English
TRANS-1-METHYL-3-PHENYLINDAN
Systematic Name English
1H-INDENE, 2,3-DIHYDRO-1-METHYL-3-PHENYL-, TRANS-
Systematic Name English
1H-INDENE, 2,3-DIHYDRO-1-METHYL-3-PHENYL-, (1R,3S)-REL-
Systematic Name English
1.ALPHA.-METHYL-3.BETA.-PHENYLINDAN
Common Name English
Code System Code Type Description
FDA UNII
YE6D1786Q7
Created by admin on Sat Dec 16 11:29:06 GMT 2023 , Edited by admin on Sat Dec 16 11:29:06 GMT 2023
PRIMARY
PUBCHEM
51382627
Created by admin on Sat Dec 16 11:29:06 GMT 2023 , Edited by admin on Sat Dec 16 11:29:06 GMT 2023
PRIMARY
CAS
14568-76-4
Created by admin on Sat Dec 16 11:29:06 GMT 2023 , Edited by admin on Sat Dec 16 11:29:06 GMT 2023
PRIMARY