(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one

C15H10BrFO3 — CID 142661646

IUPAC(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C(Br)=C/c1cccc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H10BrFO3/c16-13(7-9-2-1-3-10(17)6-9)15(20)12-8-11(18)4-5-14(12)19/h1-8,18-19H/b13-7-
InChIKeyNWHZMXHTOIDMHL-QPEQYQDCSA-N
MW337.14 g/mol
LogP3.86
Rot. Bonds3

About (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one

(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (PubChem CID 142661646) has the molecular formula C15H10BrFO3 and a molecular weight of 337.14 g/mol. Its IUPAC name is (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
PubChem CID142661646
Molecular FormulaC15H10BrFO3
Molecular Weight337.14 g/mol
Exact Mass335.98
IUPAC Name(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C(Br)=C/c1cccc(F)c1)c1cc(O)ccc1O
InChIInChI=1S/C15H10BrFO3/c16-13(7-9-2-1-3-10(17)6-9)15(20)12-8-11(18)4-5-14(12)19/h1-8,18-19H/b13-7-
InChIKeyNWHZMXHTOIDMHL-QPEQYQDCSA-N
XLogP3.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)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 (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CID 142661646) is (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is O=C(/C(Br)=C/c1cccc(F)c1)c1cc(O)ccc1O.
What is the InChIKey of (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
The InChIKey is NWHZMXHTOIDMHL-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H10BrFO3/c16-13(7-9-2-1-3-10(17)6-9)15(20)12-8-11(18)4-5-14(12)19/h1-8,18-19H/b13-7-.
What are the key properties of (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one?
(Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one has a molecular weight of 337.14 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-1-(2,5-dihydroxyphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 142661646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).