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

C16H15BrO — CID 112694096

IUPAC(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H15BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9H,1-3H3
InChIKeySRXXSJMHEDMXCS-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.61
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 112694096) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
PubChem CID112694096
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H15BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9H,1-3H3
InChIKeySRXXSJMHEDMXCS-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
3-bromo-4-methylbenzenecarbothioic S-acid
CID 22745157
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone (CID 112694096) is (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone is Cc1ccc(C(=O)c2cccc(C)c2C)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is SRXXSJMHEDMXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9H,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone?
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone has a molecular weight of 303.20 g/mol, XLogP of 4.61, 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)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 112694096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).