(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

C15H10Br2O3 — CID 127256817

IUPAC(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H10Br2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+
InChIKeyLPTBYLWJALFESZ-IZZDOVSWSA-N
MW398.05 g/mol
LogP4.54
Rot. Bonds3

About (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid (PubChem CID 127256817) has the molecular formula C15H10Br2O3 and a molecular weight of 398.05 g/mol. Its IUPAC name is (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
PubChem CID127256817
Molecular FormulaC15H10Br2O3
Molecular Weight398.05 g/mol
Exact Mass395.90
IUPAC Name(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H10Br2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+
InChIKeyLPTBYLWJALFESZ-IZZDOVSWSA-N
XLogP4.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid 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-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid (CID 127256817) is (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid is O=C(O)/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
The InChIKey is LPTBYLWJALFESZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H10Br2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-8,18H,(H,19,20)/b11-6+.
What are the key properties of (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid?
(E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid has a molecular weight of 398.05 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dibromo-4-hydroxyphenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 127256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).