1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one

C17H17ClO2 — CID 146009638

IUPAC1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1cc(OC)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-3-14(12-7-5-4-6-8-12)17(19)15-11-13(20-2)9-10-16(15)18/h4-11,14H,3H2,1-2H3
InChIKeyXMEKCPPKXOMMNG-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.73
Rot. Bonds5

About 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one

1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one (PubChem CID 146009638) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
PubChem CID146009638
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1cc(OC)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClO2/c1-3-14(12-7-5-4-6-8-12)17(19)15-11-13(20-2)9-10-16(15)18/h4-11,14H,3H2,1-2H3
InChIKeyXMEKCPPKXOMMNG-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-(2-chloro-5-methylphenyl)-2-phenylbutan-1-one
CID 146009774
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
1-(2,5-dimethylthiophen-3-yl)-2-phenylbutan-1-one
CID 43339474

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one (CID 146009638) is 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one is CCC(C(=O)c1cc(OC)ccc1Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one?
The InChIKey is XMEKCPPKXOMMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-14(12-7-5-4-6-8-12)17(19)15-11-13(20-2)9-10-16(15)18/h4-11,14H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one?
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 146009638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).