2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone

C14H10BrClO — CID 60797981

IUPAC2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyQFQBWNQWVWTZHA-UHFFFAOYSA-N
MW309.59 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone

2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone (PubChem CID 60797981) has the molecular formula C14H10BrClO and a molecular weight of 309.59 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone
PubChem CID60797981
Molecular FormulaC14H10BrClO
Molecular Weight309.59 g/mol
Exact Mass307.96
IUPAC Name2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2
InChIKeyQFQBWNQWVWTZHA-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone (CID 60797981) is 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone is O=C(Cc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone?
The InChIKey is QFQBWNQWVWTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO/c15-13-4-2-1-3-11(13)9-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone?
2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone has a molecular weight of 309.59 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 60797981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).