PHENYLISOHEXANOL

Possibly Marketed Outside US

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H18O
Molecular Weight	178.2707
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CCO)CCC1=CC=CC=C1

InChI

InChIKey=OXYRENDGHPGWKV-UHFFFAOYSA-N

InChI=1S/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H18O
Molecular Weight	178.2707
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Sunburn 84 Sources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=a8276be2-93f1-4782-b206-93ea31036216	Inactive ingredient		Approved 8583	Mary Kay Timewise Repair Volu-Firm The Go Set Approved Use helps prevent sunburn. If used as directed with other sun protection measures (see Directions), decreases the risk of skin cancer and early skin aging caused by the sun

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
activator 150	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP2C19 2057 CYP19A1 429

Drug as perpetrator

Target	Modality	Activity
CYP3A4 2633	activator 342 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671201#sid=144211577	no [EC50 35.5742 uM]
CYP19A1 430	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/743139#sid=144211577	no
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671196#sid=144211577	no
CYP1A2 2333	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671199#sid=144211577	yes [IC50 22.4458 uM]
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671198#sid=144211577	yes [IC50 35.5742 uM]
CYP2C19 2141	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671197#sid=144211577	yes [IC50 7.9641 uM]

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1671200#sid=144211577

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:02:34 GMT 2025` Edited by `admin` on `Mon Mar 31 21:02:34 GMT 2025`
Record UNII	M56178H183
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYLISOHEXANOL

Official Name

English

MEFROSOL

Preferred Name

English

3-METHYL-5-PHENYLPENTAN-1-OL

Systematic Name

English

BENZENEPENTANOL, .GAMMA.-METHYL-

Systematic Name

English

3-METHYL-5-PHENYLPENTANOL

Systematic Name

English

5-PHENYL-3-METHYLPENTANOL

Systematic Name

English

PHENYLHEXANOL

Systematic Name

English

3-METHYL-5-PHENYL-1-PENTANOL

Systematic Name

English

PHENYLISOHEXANOL, (±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID4044822