1-(3-chloro-4-methoxyphenyl)-2-phenylethanone

C15H13ClO2 — CID 18756159

IUPAC1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyOVZPYQWKTKNQGZ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone

1-(3-chloro-4-methoxyphenyl)-2-phenylethanone (PubChem CID 18756159) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
PubChem CID18756159
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
SMILESCOc1ccc(C(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H13ClO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyOVZPYQWKTKNQGZ-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
1-(2,4-dichloro-5-methoxyphenyl)-2-phenylethanone
CID 83988374
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570
1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone (CID 18756159) is 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone is COc1ccc(C(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone?
The InChIKey is OVZPYQWKTKNQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-18-15-8-7-12(10-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone?
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone has a molecular weight of 260.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-phenylethanone is sourced from PubChem (CID 18756159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).