(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone

C16H15BrO3 — CID 65306184

IUPAC(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H15BrO3/c1-10-4-5-11(17)8-13(10)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9H,1-3H3
InChIKeySRLUHICSQLLKHY-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.01
Rot. Bonds4

About (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone

(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 65306184) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
PubChem CID65306184
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H15BrO3/c1-10-4-5-11(17)8-13(10)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9H,1-3H3
InChIKeySRLUHICSQLLKHY-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone (CID 65306184) is (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2cc(Br)ccc2C)c1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is SRLUHICSQLLKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-4-5-11(17)8-13(10)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9H,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone?
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 65306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).