1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol

C15H14F2O2 — CID 116756981

IUPAC1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2O2/c1-19-15(10-5-3-2-4-6-10)14(18)11-7-8-12(16)13(17)9-11/h2-9,14-15,18H,1H3
InChIKeySBTCXXIPPSLNDR-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.39
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol

1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol (PubChem CID 116756981) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
PubChem CID116756981
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
SMILESCOC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2O2/c1-19-15(10-5-3-2-4-6-10)14(18)11-7-8-12(16)13(17)9-11/h2-9,14-15,18H,1H3
InChIKeySBTCXXIPPSLNDR-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanol
CID 106881196
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol (CID 116756981) is 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol is COC(c1ccccc1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol?
The InChIKey is SBTCXXIPPSLNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-19-15(10-5-3-2-4-6-10)14(18)11-7-8-12(16)13(17)9-11/h2-9,14-15,18H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol?
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol has a molecular weight of 264.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 116756981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).