2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

C16H15F3O2 — CID 62801984

IUPAC2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCOc1cccc(CC(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9,15,20H,10H2,1H3
InChIKeyFKXPPPPTCDHVDJ-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.99
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 62801984) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID62801984
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCOc1cccc(CC(O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9,15,20H,10H2,1H3
InChIKeyFKXPPPPTCDHVDJ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 62801984) is 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is COc1cccc(CC(O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FKXPPPPTCDHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-21-12-6-4-5-11(9-12)10-15(20)13-7-2-3-8-14(13)16(17,18)19/h2-9,15,20H,10H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62801984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).