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

Hydrobenzoin
CID 95447
1,1-Diphenylethanol
CID 69031
(R,R)-Hydrobenzoin
CID 853019
1,2-Propanediol, 1,1-diphenyl-
CID 2748265
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
1,2-Diphenyl-2-propanol
CID 95356
(+-)-2-Phenyl-1,2-propanediol
CID 97867
1,1,2-Triphenyl-1,2-ethanediol
CID 95527
1,1-Diphenylbutane-1,4-diol
CID 96679
4,4'-bis[2-Hydroxyhexafluoroisopropyl]diphenyl
CID 137469
1,1-Diphenylpropan-1-ol
CID 226149
Diphenyl(trifluoromethyl)carbinol
CID 238346

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).