(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

C15H11BrO2 — CID 6113109

IUPAC(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C15H11BrO2/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10,17H/b9-6+
InChIKeyIIRXFNIZXUTCQA-RMKNXTFCSA-N
MW303.16 g/mol
LogP4.05
Rot. Bonds3

About (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one

(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 6113109) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID6113109
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C15H11BrO2/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10,17H/b9-6+
InChIKeyIIRXFNIZXUTCQA-RMKNXTFCSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-bromophenyl)-1-(3-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one (CID 6113109) is (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Br)cc1)c1cccc(O)c1.
What is the InChIKey of (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is IIRXFNIZXUTCQA-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-10,17H/b9-6+.
What are the key properties of (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 303.16 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6113109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).