1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone

C15H13BrO4 — CID 58913124

IUPAC1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
SMILESCOc1cc(O)c(C(=O)Cc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H13BrO4/c1-20-15-8-14(19)11(7-12(15)16)13(18)6-9-2-4-10(17)5-3-9/h2-5,7-8,17,19H,6H2,1H3
InChIKeyYTWQMVVZKBIHKX-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.29
Rot. Bonds4

About 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone

1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone (PubChem CID 58913124) has the molecular formula C15H13BrO4 and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
PubChem CID58913124
Molecular FormulaC15H13BrO4
Molecular Weight337.17 g/mol
Exact Mass336.00
IUPAC Name1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
SMILESCOc1cc(O)c(C(=O)Cc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H13BrO4/c1-20-15-8-14(19)11(7-12(15)16)13(18)6-9-2-4-10(17)5-3-9/h2-5,7-8,17,19H,6H2,1H3
InChIKeyYTWQMVVZKBIHKX-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
CID 42605359
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 123553272
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
(5-bromo-2-hydroxy-4-methoxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 139764301

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone (CID 58913124) is 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone is COc1cc(O)c(C(=O)Cc2ccc(O)cc2)cc1Br.
What is the InChIKey of 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
The InChIKey is YTWQMVVZKBIHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4/c1-20-15-8-14(19)11(7-12(15)16)13(18)6-9-2-4-10(17)5-3-9/h2-5,7-8,17,19H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone?
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone has a molecular weight of 337.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 58913124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).