(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone

C15H12BrClO — CID 103693752

IUPAC(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClO/c1-9-3-5-11(7-13(9)16)15(18)12-6-4-10(2)14(17)8-12/h3-8H,1-2H3
InChIKeyRPANYROOQUDKPC-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.95
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone

(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 103693752) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
PubChem CID103693752
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClO/c1-9-3-5-11(7-13(9)16)15(18)12-6-4-10(2)14(17)8-12/h3-8H,1-2H3
InChIKeyRPANYROOQUDKPC-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)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561557
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone (CID 103693752) is (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C)c(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is RPANYROOQUDKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-9-3-5-11(7-13(9)16)15(18)12-6-4-10(2)14(17)8-12/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone?
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)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-methylphenyl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 103693752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).