(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone

C15H12BrClO — CID 114970193

IUPAC(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(Br)c2Cl)c1C
InChIInChI=1S/C15H12BrClO/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8H,1-2H3
InChIKeyVHJJHDHYRCWKRA-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.95
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone

(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 114970193) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
PubChem CID114970193
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(Br)c2Cl)c1C
InChIInChI=1S/C15H12BrClO/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8H,1-2H3
InChIKeyVHJJHDHYRCWKRA-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-bromo-2-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115794398
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
CID 116602810
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
2,3-dimethylbenzoyl iodide
CID 87941796
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone (CID 114970193) is (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2cccc(Br)c2Cl)c1C.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is VHJJHDHYRCWKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-9-5-3-6-11(10(9)2)15(18)12-7-4-8-13(16)14(12)17/h3-8H,1-2H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone has a molecular weight of 323.62 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 114970193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).