1-(4-bromo-3-chlorophenyl)-2-phenylethanone

C14H10BrClO — CID 81296102

IUPAC1-(4-bromo-3-chlorophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrClO/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyKGGRZTRHLDVQJZ-UHFFFAOYSA-N
MW309.59 g/mol
LogP4.53
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-phenylethanone

1-(4-bromo-3-chlorophenyl)-2-phenylethanone (PubChem CID 81296102) has the molecular formula C14H10BrClO and a molecular weight of 309.59 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-phenylethanone
PubChem CID81296102
Molecular FormulaC14H10BrClO
Molecular Weight309.59 g/mol
Exact Mass307.96
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H10BrClO/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyKGGRZTRHLDVQJZ-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 1-(4-bromo-3-chlorophenyl)-2-phenylethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-phenylethanone (CID 81296102) is 1-(4-bromo-3-chlorophenyl)-2-phenylethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-phenylethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-phenylethanone?
The InChIKey is KGGRZTRHLDVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-phenylethanone?
1-(4-bromo-3-chlorophenyl)-2-phenylethanone 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 1-(4-bromo-3-chlorophenyl)-2-phenylethanone is sourced from PubChem (CID 81296102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).