1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

C16H15BrO3 — CID 61079528

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C16H15BrO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyUQEBFVCLNXRPPZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.89
Rot. Bonds5

About 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone

1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 61079528) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID61079528
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C16H15BrO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10H,9H2,1-2H3
InChIKeyUQEBFVCLNXRPPZ-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81110990
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2-bromo-5-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123568
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-(2-bromo-5-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086081
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890861
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone (CID 61079528) is 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cc(OC)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is UQEBFVCLNXRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-19-12-5-3-4-11(8-12)9-16(18)14-10-13(20-2)6-7-15(14)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone?
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 335.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61079528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).