1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one

C17H17ClO2 — CID 106864975

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H17ClO2/c1-12-3-9-15(16(18)11-12)17(19)10-6-13-4-7-14(20-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyIXRWBXRJCRQOQX-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one

1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 106864975) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID106864975
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H17ClO2/c1-12-3-9-15(16(18)11-12)17(19)10-6-13-4-7-14(20-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3
InChIKeyIXRWBXRJCRQOQX-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
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(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221088
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1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 43339718
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360
4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
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1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one (CID 106864975) is 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is IXRWBXRJCRQOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-3-9-15(16(18)11-12)17(19)10-6-13-4-7-14(20-2)8-5-13/h3-5,7-9,11H,6,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one?
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 106864975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).