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

C15H10ClNO2 — CID 82046480

IUPAC2-(4-aminophenyl)-6-chlorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H10ClNO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyQZUAYCQYFMGBQU-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.70
Rot. Bonds1

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

2-(4-aminophenyl)-6-chlorochromen-4-one (PubChem CID 82046480) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-chlorochromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-chlorochromen-4-one
PubChem CID82046480
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-(4-aminophenyl)-6-chlorochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C15H10ClNO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,17H2
InChIKeyQZUAYCQYFMGBQU-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-chlorochromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-chlorochromen-4-one (CID 82046480) is 2-(4-aminophenyl)-6-chlorochromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-chlorochromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-chlorochromen-4-one is Nc1ccc(-c2cc(=O)c3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-chlorochromen-4-one?
The InChIKey is QZUAYCQYFMGBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8H,17H2.
What are the key properties of 2-(4-aminophenyl)-6-chlorochromen-4-one?
2-(4-aminophenyl)-6-chlorochromen-4-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 2-(4-aminophenyl)-6-chlorochromen-4-one is sourced from PubChem (CID 82046480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).