1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

C16H15ClO2 — CID 81323732

IUPAC1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-11-7-13(10-14(17)8-11)16(18)9-12-3-5-15(19-2)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyQIZNEHMUGXXRRU-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 81323732) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID81323732
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO2/c1-11-7-13(10-14(17)8-11)16(18)9-12-3-5-15(19-2)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyQIZNEHMUGXXRRU-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58027389
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
2-(3-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanone
CID 81323258
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (CID 81323732) is 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is QIZNEHMUGXXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11-7-13(10-14(17)8-11)16(18)9-12-3-5-15(19-2)6-4-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 81323732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).