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

C16H15ClO2 — CID 82185120

IUPAC2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1cccc(CC(Cl)C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15ClO2/c1-19-14-9-5-6-12(10-14)11-15(17)16(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeyQIAQHESEZWIWLU-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.73
Rot. Bonds5

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

2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 82185120) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID82185120
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1cccc(CC(Cl)C(=O)c2ccccc2)c1
InChIInChI=1S/C16H15ClO2/c1-19-14-9-5-6-12(10-14)11-15(17)16(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeyQIAQHESEZWIWLU-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184938
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
1-[3-(3-methoxyphenyl)-1-oxo-1-phenylpropan-2-yl]pyrrole-2-carbaldehyde
CID 142729861
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
CID 82185150
(2S)-3-(3-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylphenyl)propan-1-one
CID 143032683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one (CID 82185120) is 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one is COc1cccc(CC(Cl)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is QIAQHESEZWIWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-19-14-9-5-6-12(10-14)11-15(17)16(18)13-7-3-2-4-8-13/h2-10,15H,11H2,1H3.
What are the key properties of 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one?
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 274.75 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 82185120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).