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

C15H12BrClO3 — CID 115565794

IUPAC(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(Br)c2)c(OC)c1
InChIInChI=1S/C15H12BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8H,1-2H3
InChIKeyMZBOFDBHBMBYCU-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.35
Rot. Bonds4

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

(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 115565794) has the molecular formula C15H12BrClO3 and a molecular weight of 355.62 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
PubChem CID115565794
Molecular FormulaC15H12BrClO3
Molecular Weight355.62 g/mol
Exact Mass353.97
IUPAC Name(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(Br)c2)c(OC)c1
InChIInChI=1S/C15H12BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8H,1-2H3
InChIKeyMZBOFDBHBMBYCU-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone (CID 115565794) is (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)c(Br)c2)c(OC)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is MZBOFDBHBMBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO3/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone?
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 355.62 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 115565794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).