(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone

C16H15BrO4 — CID 43339938

IUPAC(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H15BrO4/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9H,1-3H3
InChIKeyVOKTXGBGURIJOT-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.71
Rot. Bonds5

About (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone

(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 43339938) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID43339938
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H15BrO4/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9H,1-3H3
InChIKeyVOKTXGBGURIJOT-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
CID 116917510
1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-one
CID 43161797
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(5-bromo-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 29076010

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone (CID 43339938) is (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone is COc1ccc(Br)cc1C(=O)c1c(OC)cccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is VOKTXGBGURIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-12-8-7-10(17)9-11(12)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9H,1-3H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone?
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 351.20 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 43339938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).