1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone

C15H13ClO — CID 10705500

IUPAC1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO/c1-11(17)14-6-2-4-12(9-14)8-13-5-3-7-15(16)10-13/h2-7,9-10H,8H2,1H3
InChIKeyVWGQHPRJSRDHOA-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.13
Rot. Bonds3

About 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone

1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone (PubChem CID 10705500) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
PubChem CID10705500
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO/c1-11(17)14-6-2-4-12(9-14)8-13-5-3-7-15(16)10-13/h2-7,9-10H,8H2,1H3
InChIKeyVWGQHPRJSRDHOA-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
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1-[3-(3-chlorophenyl)phenyl]ethanone
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1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[3-(sulfanylmethyl)phenyl]ethanone
CID 56991195
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
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3-[(4-chlorophenyl)methyl]benzoic acid
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1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
acetic acid;(3-chlorophenyl)methanamine
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1-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]ethanone
CID 19767903
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone (CID 10705500) is 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone is CC(=O)c1cccc(Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone?
The InChIKey is VWGQHPRJSRDHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-11(17)14-6-2-4-12(9-14)8-13-5-3-7-15(16)10-13/h2-7,9-10H,8H2,1H3.
What are the key properties of 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone?
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone has a molecular weight of 244.72 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 10705500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).