1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone

C17H17ClO2 — CID 63527693

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeyOEUQNTIUZCKJNW-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone

1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 63527693) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID63527693
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3
InChIKeyOEUQNTIUZCKJNW-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone (CID 63527693) is 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is OEUQNTIUZCKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-4-5-13(8-12(11)2)9-16(19)15-7-6-14(18)10-17(15)20-3/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone?
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 63527693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).