1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol

C16H16F2O2 — CID 103465180

IUPAC1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2O2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)15(18)9-12/h2-9,19H,10-11H2,1H3
InChIKeyZEXMYFOPYSRVOI-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.04
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol

1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465180) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465180
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(Cc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2O2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)15(18)9-12/h2-9,19H,10-11H2,1H3
InChIKeyZEXMYFOPYSRVOI-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465196
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
4-chloro-1-(3-fluoro-4-methoxyphenyl)-2-phenylbutan-2-ol
CID 116696364
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-(3,4-difluorophenyl)-2-phenylpropan-2-amine
CID 82919895
1-methoxy-2-phenylheptan-2-ol
CID 103465294
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
CID 82919978
1-amino-3-(3,4-dimethoxyphenyl)-2-phenylpropan-2-ol
CID 57223105
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol (CID 103465180) is 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol is COCC(O)(Cc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is ZEXMYFOPYSRVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-20-11-16(19,13-5-3-2-4-6-13)10-12-7-8-14(17)15(18)9-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol?
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).