(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone

C15H12BrClO — CID 115565910

IUPAC(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H12BrClO/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8H,1-2H3
InChIKeyJESFTWMGKHHXBV-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.95
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 115565910) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
PubChem CID115565910
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H12BrClO/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8H,1-2H3
InChIKeyJESFTWMGKHHXBV-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-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone (CID 115565910) is (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2ccc(Cl)c(Br)c2)c1C.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is JESFTWMGKHHXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone?
(3-bromo-4-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-4-chlorophenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 115565910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).