2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone

C17H17BrO4 — CID 142728271

IUPAC2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(Br)c(OC)cc2OC)cc1
InChIInChI=1S/C17H17BrO4/c1-20-13-6-4-11(5-7-13)15(19)9-12-8-14(18)17(22-3)10-16(12)21-2/h4-8,10H,9H2,1-3H3
InChIKeyMTPHWKNRFYDWKZ-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.90
Rot. Bonds6

About 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone

2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone (PubChem CID 142728271) has the molecular formula C17H17BrO4 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
PubChem CID142728271
Molecular FormulaC17H17BrO4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Name2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(Br)c(OC)cc2OC)cc1
InChIInChI=1S/C17H17BrO4/c1-20-13-6-4-11(5-7-13)15(19)9-12-8-14(18)17(22-3)10-16(12)21-2/h4-8,10H,9H2,1-3H3
InChIKeyMTPHWKNRFYDWKZ-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-bromophenyl)ethanone
CID 65327862
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
2-(5-ethylfuran-2-yl)-1-(4-methoxyphenyl)ethanone
CID 154926215
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102
2-(2-methoxy-4-methylphenyl)-1-(4-methylphenyl)ethanone
CID 58400732
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone (CID 142728271) is 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cc(Br)c(OC)cc2OC)cc1.
What is the InChIKey of 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is MTPHWKNRFYDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO4/c1-20-13-6-4-11(5-7-13)15(19)9-12-8-14(18)17(22-3)10-16(12)21-2/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone?
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 365.22 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 142728271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).