3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one

C15H11BrO3 — CID 7307866

IUPAC3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=C(O)c1cccc(Br)c1)c1ccccc1O
InChIInChI=1S/C15H11BrO3/c16-11-5-3-4-10(8-11)14(18)9-15(19)12-6-1-2-7-13(12)17/h1-9,17-18H
InChIKeyFAQNUKFPHNUNKH-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.94
Rot. Bonds3

About 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one

3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 7307866) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID7307866
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(C=C(O)c1cccc(Br)c1)c1ccccc1O
InChIInChI=1S/C15H11BrO3/c16-11-5-3-4-10(8-11)14(18)9-15(19)12-6-1-2-7-13(12)17/h1-9,17-18H
InChIKeyFAQNUKFPHNUNKH-UHFFFAOYSA-N
XLogP3.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(3-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
CID 7147511
3-hydroxy-3-(3-phenylphenyl)-1-(2-sulfanylphenyl)prop-2-en-1-one
CID 163982981
1-(3-bromophenyl)-3-pyridin-1-ium-1-ylprop-2-en-1-one chloride
CID 73449206
3-bromobenzoic acid;ethane
CID 143530590
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
N-benzoyl-3-bromobenzamide
CID 118577200
1-(3-bromophenyl)-4-(2-chlorophenyl)butane-1,4-dione
CID 90363452
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 6474698
3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
3-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 11043762

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one (CID 7307866) is 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one is O=C(C=C(O)c1cccc(Br)c1)c1ccccc1O.
What is the InChIKey of 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is FAQNUKFPHNUNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-11-5-3-4-10(8-11)14(18)9-15(19)12-6-1-2-7-13(12)17/h1-9,17-18H.
What are the key properties of 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one?
3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 319.15 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 7307866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).