3-(4-aminophenyl)-6-chlorochromen-2-one

C15H10ClNO2 — CID 86096561

IUPAC3-(4-aminophenyl)-6-chlorochromen-2-one
SMILESNc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1
InChIInChI=1S/C15H10ClNO2/c16-11-3-6-14-10(7-11)8-13(15(18)19-14)9-1-4-12(17)5-2-9/h1-8H,17H2
InChIKeyXGYUNQZMHGYPPP-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.70
Rot. Bonds1

About 3-(4-aminophenyl)-6-chlorochromen-2-one

3-(4-aminophenyl)-6-chlorochromen-2-one (PubChem CID 86096561) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-(4-aminophenyl)-6-chlorochromen-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-6-chlorochromen-2-one
PubChem CID86096561
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name3-(4-aminophenyl)-6-chlorochromen-2-one
SMILESNc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1
InChIInChI=1S/C15H10ClNO2/c16-11-3-6-14-10(7-11)8-13(15(18)19-14)9-1-4-12(17)5-2-9/h1-8H,17H2
InChIKeyXGYUNQZMHGYPPP-UHFFFAOYSA-N
XLogP3.70
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-6-chlorochromen-2-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

6-chloro-3-(1H-pyrazol-5-yl)chromen-2-one
CID 21465611
6-chloro-3-hydroxychromen-2-one
CID 15339907
3-(4-chlorophenyl)-7-methylchromen-2-one
CID 95049008
6-chloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 20904161
2-(6-chloro-2-oxochromen-3-yl)benzoic acid
CID 23968320
6-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 56594088
7-amino-3-(4-tert-butylphenyl)chromen-2-one
CID 172825366
3-(bromomethyl)-6-chlorochromen-2-one
CID 122396911
2-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one
CID 137366832
6-chloro-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 1119335

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-6-chlorochromen-2-one?
The IUPAC name of 3-(4-aminophenyl)-6-chlorochromen-2-one (CID 86096561) is 3-(4-aminophenyl)-6-chlorochromen-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-6-chlorochromen-2-one?
The canonical SMILES for 3-(4-aminophenyl)-6-chlorochromen-2-one is Nc1ccc(-c2cc3cc(Cl)ccc3oc2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-6-chlorochromen-2-one?
The InChIKey is XGYUNQZMHGYPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-11-3-6-14-10(7-11)8-13(15(18)19-14)9-1-4-12(17)5-2-9/h1-8H,17H2.
What are the key properties of 3-(4-aminophenyl)-6-chlorochromen-2-one?
3-(4-aminophenyl)-6-chlorochromen-2-one has a molecular weight of 271.70 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-6-chlorochromen-2-one is sourced from PubChem (CID 86096561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).