(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone

C15H11BrCl2O3 — CID 105056345

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C15H11BrCl2O3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-11(17)12(18)5-8/h3-7H,1-2H3
InChIKeyZNOYTHWLTXAMLU-UHFFFAOYSA-N
MW390.06 g/mol
LogP5.00
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone

(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone (PubChem CID 105056345) has the molecular formula C15H11BrCl2O3 and a molecular weight of 390.06 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
PubChem CID105056345
Molecular FormulaC15H11BrCl2O3
Molecular Weight390.06 g/mol
Exact Mass387.93
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)c(Cl)c2)c(OC)cc1Br
InChIInChI=1S/C15H11BrCl2O3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-11(17)12(18)5-8/h3-7H,1-2H3
InChIKeyZNOYTHWLTXAMLU-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(4-chloro-3-methoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107944607

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone (CID 105056345) is (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone is COc1cc(C(=O)c2ccc(Cl)c(Cl)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone?
The InChIKey is ZNOYTHWLTXAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2O3/c1-20-13-7-10(16)14(21-2)6-9(13)15(19)8-3-4-11(17)12(18)5-8/h3-7H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone has a molecular weight of 390.06 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 105056345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).