(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone

C16H14BrClO3 — CID 105056463

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)c(C)c2)c(OC)cc1Br
InChIInChI=1S/C16H14BrClO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3
InChIKeyNDBPERFDVUPDRR-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.66
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone (PubChem CID 105056463) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
PubChem CID105056463
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(Cl)c(C)c2)c(OC)cc1Br
InChIInChI=1S/C16H14BrClO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3
InChIKeyNDBPERFDVUPDRR-UHFFFAOYSA-N
XLogP4.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone (CID 105056463) is (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone is COc1cc(C(=O)c2ccc(Cl)c(C)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone?
The InChIKey is NDBPERFDVUPDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone has a molecular weight of 369.64 g/mol, XLogP of 4.66, 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)-(4-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 105056463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).