(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone

C14H9BrCl2O — CID 43629690

IUPAC(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-7-10(16)3-5-13(12)17/h2-7H,1H3
InChIKeyTVYJBZPDDDYTPZ-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.30
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone

(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 43629690) has the molecular formula C14H9BrCl2O and a molecular weight of 344.04 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
PubChem CID43629690
Molecular FormulaC14H9BrCl2O
Molecular Weight344.04 g/mol
Exact Mass341.92
IUPAC Name(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-7-10(16)3-5-13(12)17/h2-7H,1H3
InChIKeyTVYJBZPDDDYTPZ-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-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone (CID 43629690) is (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone is Cc1cc(Br)ccc1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is TVYJBZPDDDYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O/c1-8-6-9(15)2-4-11(8)14(18)12-7-10(16)3-5-13(12)17/h2-7H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone?
(4-bromo-2-methylphenyl)-(2,5-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)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 43629690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).