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

C15H11ClO2 — CID 11817774

IUPAC(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
SMILESO=C(/C(=C\O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-10,17H/b14-10-
InChIKeyFGDHQKKWACDART-UVTDQMKNSA-N
MW258.70 g/mol
LogP4.12
Rot. Bonds3

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

(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one (PubChem CID 11817774) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
PubChem CID11817774
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
SMILESO=C(/C(=C\O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-10,17H/b14-10-
InChIKeyFGDHQKKWACDART-UVTDQMKNSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-(4-chlorophenyl)-3-hydroxy-1-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

Related Compounds

(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
CID 135463888
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195
1,2-diphenylethane-1,2-dione bromide
CID 86754555

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one (CID 11817774) is (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one is O=C(/C(=C\O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one?
The InChIKey is FGDHQKKWACDART-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-13-8-6-11(7-9-13)14(10-17)15(18)12-4-2-1-3-5-12/h1-10,17H/b14-10-.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one?
(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one has a molecular weight of 258.70 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one is sourced from PubChem (CID 11817774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).