1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone

C15H13ClO2 — CID 159226869

IUPAC1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
SMILESCOc1cc(-c2ccc(Cl)cc2)ccc1C(C)=O
InChIInChI=1S/C15H13ClO2/c1-10(17)14-8-5-12(9-15(14)18-2)11-3-6-13(16)7-4-11/h3-9H,1-2H3
InChIKeyKSJZATASSWUXTK-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.22
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone

1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone (PubChem CID 159226869) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
PubChem CID159226869
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
SMILESCOc1cc(-c2ccc(Cl)cc2)ccc1C(C)=O
InChIInChI=1S/C15H13ClO2/c1-10(17)14-8-5-12(9-15(14)18-2)11-3-6-13(16)7-4-11/h3-9H,1-2H3
InChIKeyKSJZATASSWUXTK-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
1-[2-(4-chloro-3-methoxyphenyl)phenyl]ethanone
CID 79711690
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
1-[2-chloro-4-(2,5-dichloro-4-methoxyphenyl)phenyl]ethanone
CID 82778971
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
4-chloro-2-methoxybenzamide
CID 19741766
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-one
CID 115780949
(2-acetyl-5-methylphenyl) 5-chloro-2-methoxybenzoate
CID 50889272
4-acetyl-3-methoxybenzaldehyde
CID 14123550
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone (CID 159226869) is 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone is COc1cc(-c2ccc(Cl)cc2)ccc1C(C)=O.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone?
The InChIKey is KSJZATASSWUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-10(17)14-8-5-12(9-15(14)18-2)11-3-6-13(16)7-4-11/h3-9H,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone?
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone has a molecular weight of 260.72 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone is sourced from PubChem (CID 159226869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).