1-(5-chloro-2-phenylphenyl)ethanone

C14H11ClO — CID 102424272

IUPAC1-(5-chloro-2-phenylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C14H11ClO/c1-10(16)14-9-12(15)7-8-13(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDBAABDFCDMGAMW-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.21
Rot. Bonds2

About 1-(5-chloro-2-phenylphenyl)ethanone

1-(5-chloro-2-phenylphenyl)ethanone (PubChem CID 102424272) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-phenylphenyl)ethanone
PubChem CID102424272
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name1-(5-chloro-2-phenylphenyl)ethanone
SMILESCC(=O)c1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C14H11ClO/c1-10(16)14-9-12(15)7-8-13(14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDBAABDFCDMGAMW-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-phenylphenyl)ethanone (CID 102424272) is 1-(5-chloro-2-phenylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-phenylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-phenylphenyl)ethanone is CC(=O)c1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenylphenyl)ethanone?
The InChIKey is DBAABDFCDMGAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-10(16)14-9-12(15)7-8-13(14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 1-(5-chloro-2-phenylphenyl)ethanone?
1-(5-chloro-2-phenylphenyl)ethanone has a molecular weight of 230.69 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenylphenyl)ethanone is sourced from PubChem (CID 102424272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).