3-(3-chlorophenyl)-2,3-dihydrochromen-4-one

C15H11ClO2 — CID 59356086

IUPAC3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2
InChIKeyOAOQGYBDXHPTKS-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.70
Rot. Bonds1

About 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one

3-(3-chlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 59356086) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID59356086
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name3-(3-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1c1cccc(Cl)c1
InChIInChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2
InChIKeyOAOQGYBDXHPTKS-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-2,3-dihydrochromen-4-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

(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
CID 169424704
CID 169424704
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
3-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57186431
3-cyclopropyl-2,3-dihydrochromen-4-one
CID 69056913
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
4-oxo-2,3-dihydrochromene-3-carboxylic acid
CID 68674763
dimethyl-(4-oxo-2,3-dihydrochromen-3-yl)sulfanium
CID 22974592
(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
CID 177402596
8-(3-chlorophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 132851246

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one (CID 59356086) is 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is OAOQGYBDXHPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-8,13H,9H2.
What are the key properties of 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one?
3-(3-chlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 258.70 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59356086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).