1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone

C15H13ClO — CID 135075910

IUPAC1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2CCl)cc1
InChIInChI=1S/C15H13ClO/c1-11(17)12-6-8-13(9-7-12)15-5-3-2-4-14(15)10-16/h2-9H,10H2,1H3
InChIKeyDBCIPPLMZWGSAA-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone

1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone (PubChem CID 135075910) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
PubChem CID135075910
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2CCl)cc1
InChIInChI=1S/C15H13ClO/c1-11(17)12-6-8-13(9-7-12)15-5-3-2-4-14(15)10-16/h2-9H,10H2,1H3
InChIKeyDBCIPPLMZWGSAA-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-tert-butyl-4-[2-(chloromethyl)phenyl]benzene
CID 141176156
4-[2-(chloromethyl)phenyl]-N,N-dimethylaniline
CID 43840308
4-(2-ethylphenyl)benzamide
CID 69080578
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-[4-[2-(pyrrolidin-3-yloxymethyl)phenyl]phenyl]ethanone
CID 68922925
2-[2-(4-methylphenyl)phenyl]acetyl chloride
CID 23292502
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone (CID 135075910) is 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccccc2CCl)cc1.
What is the InChIKey of 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone?
The InChIKey is DBCIPPLMZWGSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-11(17)12-6-8-13(9-7-12)15-5-3-2-4-14(15)10-16/h2-9H,10H2,1H3.
What are the key properties of 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone?
1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone has a molecular weight of 244.72 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 135075910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).