3-(4-amino-2-methoxyphenyl)chromen-2-one

C16H13NO3 — CID 736324

IUPAC3-(4-amino-2-methoxyphenyl)chromen-2-one
SMILESCOc1cc(N)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13NO3/c1-19-15-9-11(17)6-7-12(15)13-8-10-4-2-3-5-14(10)20-16(13)18/h2-9H,17H2,1H3
InChIKeyZNTKIICGKNNUHH-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.05
Rot. Bonds2

About 3-(4-amino-2-methoxyphenyl)chromen-2-one

3-(4-amino-2-methoxyphenyl)chromen-2-one (PubChem CID 736324) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenyl)chromen-2-one
PubChem CID736324
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-(4-amino-2-methoxyphenyl)chromen-2-one
SMILESCOc1cc(N)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13NO3/c1-19-15-9-11(17)6-7-12(15)13-8-10-4-2-3-5-14(10)20-16(13)18/h2-9H,17H2,1H3
InChIKeyZNTKIICGKNNUHH-UHFFFAOYSA-N
XLogP3.05
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-amino-2-methoxyphenyl)chromen-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-methoxyphenyl)chromen-2-one?
The IUPAC name of 3-(4-amino-2-methoxyphenyl)chromen-2-one (CID 736324) is 3-(4-amino-2-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 3-(4-amino-2-methoxyphenyl)chromen-2-one?
The canonical SMILES for 3-(4-amino-2-methoxyphenyl)chromen-2-one is COc1cc(N)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(4-amino-2-methoxyphenyl)chromen-2-one?
The InChIKey is ZNTKIICGKNNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-15-9-11(17)6-7-12(15)13-8-10-4-2-3-5-14(10)20-16(13)18/h2-9H,17H2,1H3.
What are the key properties of 3-(4-amino-2-methoxyphenyl)chromen-2-one?
3-(4-amino-2-methoxyphenyl)chromen-2-one has a molecular weight of 267.28 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 736324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).