1-(4-chloro-3-phenylphenyl)propan-1-one

C15H13ClO — CID 71113096

IUPAC1-(4-chloro-3-phenylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H13ClO/c1-2-15(17)12-8-9-14(16)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyCUIVQVXBOVWHMM-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.60
Rot. Bonds3

About 1-(4-chloro-3-phenylphenyl)propan-1-one

1-(4-chloro-3-phenylphenyl)propan-1-one (PubChem CID 71113096) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(4-chloro-3-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-phenylphenyl)propan-1-one
PubChem CID71113096
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-(4-chloro-3-phenylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(Cl)c(-c2ccccc2)c1
InChIInChI=1S/C15H13ClO/c1-2-15(17)12-8-9-14(16)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyCUIVQVXBOVWHMM-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
methyl 2-(2-phenyl-5-propanoylphenyl)acetate
CID 57288520
1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
CID 118818873
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
CID 68551333
1-phenyl(111C)propan-1-one
CID 11159350
1-(4-chloro-3-methylsulfanylphenyl)propan-1-one
CID 118854904
4-chloro-3-[4-(2-methylbutan-2-yl)phenyl]benzoic acid
CID 107990138
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-phenylphenyl)propan-1-one?
The IUPAC name of 1-(4-chloro-3-phenylphenyl)propan-1-one (CID 71113096) is 1-(4-chloro-3-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-3-phenylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chloro-3-phenylphenyl)propan-1-one is CCC(=O)c1ccc(Cl)c(-c2ccccc2)c1.
What is the InChIKey of 1-(4-chloro-3-phenylphenyl)propan-1-one?
The InChIKey is CUIVQVXBOVWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-2-15(17)12-8-9-14(16)13(10-12)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of 1-(4-chloro-3-phenylphenyl)propan-1-one?
1-(4-chloro-3-phenylphenyl)propan-1-one has a molecular weight of 244.72 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-phenylphenyl)propan-1-one is sourced from PubChem (CID 71113096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).