(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone

C14H9BrCl2O — CID 63492688

IUPAC(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,1H3
InChIKeyUSYYIVYZEAAVDB-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.30
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone

(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone (PubChem CID 63492688) has the molecular formula C14H9BrCl2O and a molecular weight of 344.04 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
PubChem CID63492688
Molecular FormulaC14H9BrCl2O
Molecular Weight344.04 g/mol
Exact Mass341.92
IUPAC Name(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,1H3
InChIKeyUSYYIVYZEAAVDB-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.04
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-Bromo-4-chlorochalcone
CID 5293152
3-Bromo-4'-chlorochalcone
CID 5796429
4'-Bromo-2-chlorochalcone
CID 6103390
4-(p-Bromophenyl)-4'-chlorobenzophenone
CID 478903
(2E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5293153
1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 4411726
(4-Bromophenyl)(4-chlorophenyl)methanone
CID 2756868
3-Bromo-4'-chlorobenzophenone
CID 2756866
1-(4-Bromo-2-chlorophenyl)propan-1-one
CID 21257156
2-Bromo-1-(2,4-dichlorophenyl)butan-1-one
CID 45358536
(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone
CID 15941367
2-(2-Bromophenyl)-1-(4-chlorophenyl)ethanone
CID 60797981

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone (CID 63492688) is (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone is Cc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone?
The InChIKey is USYYIVYZEAAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-5-3-10(16)7-13(12)17/h2-7H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone?
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone has a molecular weight of 344.04 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 63492688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).