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

C16H13NO3 — CID 4713

IUPAC2-(2-amino-3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccccc3o2)c1N
InChIInChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
InChIKeyQFWCYNPOPKQOKV-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.05
Rot. Bonds2

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

2-(2-amino-3-methoxyphenyl)chromen-4-one (PubChem CID 4713) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-amino-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-amino-3-methoxyphenyl)chromen-4-one
PubChem CID4713
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-amino-3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccccc3o2)c1N
InChIInChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
InChIKeyQFWCYNPOPKQOKV-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-(2-amino-3-methoxyphenyl)chromen-4-one (CID 4713) is 2-(2-amino-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(2-amino-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(2-amino-3-methoxyphenyl)chromen-4-one is COc1cccc(-c2cc(=O)c3ccccc3o2)c1N.
What is the InChIKey of 2-(2-amino-3-methoxyphenyl)chromen-4-one?
The InChIKey is QFWCYNPOPKQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3.
What are the key properties of 2-(2-amino-3-methoxyphenyl)chromen-4-one?
2-(2-amino-3-methoxyphenyl)chromen-4-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 2-(2-amino-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 4713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).