2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol

C15H13ClF2O — CID 82919978

IUPAC2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF2O/c1-15(19,11-3-2-4-12(16)8-11)9-10-5-6-13(17)14(18)7-10/h2-8,19H,9H2,1H3
InChIKeySJWVNDMDJUVOCN-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.07
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol

2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol (PubChem CID 82919978) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
PubChem CID82919978
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF2O/c1-15(19,11-3-2-4-12(16)8-11)9-10-5-6-13(17)14(18)7-10/h2-8,19H,9H2,1H3
InChIKeySJWVNDMDJUVOCN-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3,4-difluorophenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 82920764
1-(4-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
2-(3-chlorophenyl)-1-(2,3-dichlorophenyl)propan-2-ol
CID 107307348
2-(3-bromophenyl)-1-(5-chloro-2-fluorophenyl)propan-2-ol
CID 103047480
1-(3-chlorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 63407265
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
1-(2-bromophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 60797682

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol (CID 82919978) is 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol is CC(O)(Cc1ccc(F)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol?
The InChIKey is SJWVNDMDJUVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-15(19,11-3-2-4-12(16)8-11)9-10-5-6-13(17)14(18)7-10/h2-8,19H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol?
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol has a molecular weight of 282.72 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 82919978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).