2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one

C15H13ClO2 — CID 88838543

IUPAC2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cl)Cc1cccc(O)c1
InChIInChI=1S/C15H13ClO2/c16-14(10-11-5-4-8-13(17)9-11)15(18)12-6-2-1-3-7-12/h1-9,14,17H,10H2
InChIKeyIFNMWYFRHXVQGV-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one

2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one (PubChem CID 88838543) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
PubChem CID88838543
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cl)Cc1cccc(O)c1
InChIInChI=1S/C15H13ClO2/c16-14(10-11-5-4-8-13(17)9-11)15(18)12-6-2-1-3-7-12/h1-9,14,17H,10H2
InChIKeyIFNMWYFRHXVQGV-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
CID 82185150
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
2-chloro-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 101382183
2,4-bis(2-hydroxyphenyl)-1,5-bis(3-hydroxyphenyl)pentan-3-one
CID 175303137
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178
(2R)-2-(4-aminophenyl)-3-(3-hydroxyphenyl)propanoic acid
CID 124549291
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
3-(3-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoic acid
CID 112758397
2,4-dichloro-1-phenylbutan-1-one
CID 19063902
N-(1-chloro-3-phenylpropan-2-yl)-3-hydroxybenzamide
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2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one (CID 88838543) is 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one is O=C(c1ccccc1)C(Cl)Cc1cccc(O)c1.
What is the InChIKey of 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one?
The InChIKey is IFNMWYFRHXVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14(10-11-5-4-8-13(17)9-11)15(18)12-6-2-1-3-7-12/h1-9,14,17H,10H2.
What are the key properties of 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one?
2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 88838543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).