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

C16H15F3O2 — CID 103465713

IUPAC2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOCC(O)(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-21-11-15(20,12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,20H,11H2,1H3
InChIKeyQDZZIKNCDVZPAW-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.59
Rot. Bonds4

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

2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 103465713) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID103465713
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCOCC(O)(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-21-11-15(20,12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,20H,11H2,1H3
InChIKeyQDZZIKNCDVZPAW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566
2-methoxy-1-phenyl-1-quinolin-7-ylethanol
CID 103465513
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 90501203
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
CID 103391368
1-methoxy-2-phenylpentan-2-ol
CID 79566426

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol (CID 103465713) is 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol is COCC(O)(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QDZZIKNCDVZPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-21-11-15(20,12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-10,20H,11H2,1H3.
What are the key properties of 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol?
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 103465713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).