(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one

C15H11BrO2 — CID 139094969

IUPAC(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one
SMILESO=C(/C(O)=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-10,17H/b14-10-
InChIKeyKNRUEJMVUUPBTA-UVTDQMKNSA-N
MW303.16 g/mol
LogP4.23
Rot. Bonds3

About (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one

(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one (PubChem CID 139094969) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one
PubChem CID139094969
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one
SMILESO=C(/C(O)=C/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrO2/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-10,17H/b14-10-
InChIKeyKNRUEJMVUUPBTA-UVTDQMKNSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-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 (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one (CID 139094969) is (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one is O=C(/C(O)=C/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one?
The InChIKey is KNRUEJMVUUPBTA-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-13-8-6-12(7-9-13)15(18)14(17)10-11-4-2-1-3-5-11/h1-10,17H/b14-10-.
What are the key properties of (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one?
(Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one has a molecular weight of 303.16 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-bromophenyl)-2-hydroxy-3-phenylprop-2-en-1-one is sourced from PubChem (CID 139094969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).