1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one

C15H13ClO2 — CID 122226240

IUPAC1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(CO)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeySVLSUYNENGQBOB-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one

1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one (PubChem CID 122226240) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
PubChem CID122226240
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(c1ccc(Cl)cc1)C(CO)c1ccccc1
InChIInChI=1S/C15H13ClO2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeySVLSUYNENGQBOB-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
1-(4-chlorophenyl)-3-nitro-2-phenylpropan-1-one
CID 101095215
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
(2S)-1-(4-chlorophenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-one
CID 6947664
3-(azepan-1-ium-1-yl)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 5037308
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
3-hydroxy-1-(2-hydroxyphenyl)-2-phenylpropan-1-one
CID 175475394
(2R)-1,2-bis(4-chlorophenyl)-4,4,4-trifluorobutan-1-one
CID 164684484
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one (CID 122226240) is 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one is O=C(c1ccc(Cl)cc1)C(CO)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one?
The InChIKey is SVLSUYNENGQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-13-8-6-12(7-9-13)15(18)14(10-17)11-4-2-1-3-5-11/h1-9,14,17H,10H2.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one?
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one is sourced from PubChem (CID 122226240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).