1,2-bis(4-chlorophenyl)ethanone

C14H10Cl2O — CID 587318

IUPAC1,2-bis(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKeyMEQWGTBCTHCERR-UHFFFAOYSA-N
MW265.14 g/mol
LogP4.42
Rot. Bonds3

About 1,2-bis(4-chlorophenyl)ethanone

1,2-bis(4-chlorophenyl)ethanone (PubChem CID 587318) has the molecular formula C14H10Cl2O and a molecular weight of 265.14 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)ethanone
PubChem CID587318
Molecular FormulaC14H10Cl2O
Molecular Weight265.14 g/mol
Exact Mass264.01
IUPAC Name1,2-bis(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKeyMEQWGTBCTHCERR-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)ethanone?
The IUPAC name of 1,2-bis(4-chlorophenyl)ethanone (CID 587318) is 1,2-bis(4-chlorophenyl)ethanone.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)ethanone?
The canonical SMILES for 1,2-bis(4-chlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)ethanone?
The InChIKey is MEQWGTBCTHCERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2.
What are the key properties of 1,2-bis(4-chlorophenyl)ethanone?
1,2-bis(4-chlorophenyl)ethanone has a molecular weight of 265.14 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)ethanone is sourced from PubChem (CID 587318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).