1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone

C15H13BrO3 — CID 70692806

IUPAC1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O
InChIInChI=1S/C15H13BrO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3
InChIKeyOAXATZGCTRXLHW-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone

1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone (PubChem CID 70692806) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone
PubChem CID70692806
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O
InChIInChI=1S/C15H13BrO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3
InChIKeyOAXATZGCTRXLHW-UHFFFAOYSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Genistein
CID 5280961
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Paeonol
CID 11092
Galangin
CID 5281616
Biochanin A
CID 5280373

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone (CID 70692806) is 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(OCc2ccc(Br)cc2)cc1O.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone?
The InChIKey is OAXATZGCTRXLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone?
1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone has a molecular weight of 321.17 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 70692806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).