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

C16H13NO3 — CID 18568652

IUPAC6-amino-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1cc(=O)c2cc(N)ccc2o1
InChIInChI=1S/C16H13NO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9H,17H2,1H3
InChIKeyZWYDMTGGOBGURZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.05
Rot. Bonds2

About 6-amino-2-(2-methoxyphenyl)chromen-4-one

6-amino-2-(2-methoxyphenyl)chromen-4-one (PubChem CID 18568652) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-amino-2-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-amino-2-(2-methoxyphenyl)chromen-4-one
PubChem CID18568652
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name6-amino-2-(2-methoxyphenyl)chromen-4-one
SMILESCOc1ccccc1-c1cc(=O)c2cc(N)ccc2o1
InChIInChI=1S/C16H13NO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9H,17H2,1H3
InChIKeyZWYDMTGGOBGURZ-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 6-amino-2-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-amino-2-(2-methoxyphenyl)chromen-4-one (CID 18568652) is 6-amino-2-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-amino-2-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-amino-2-(2-methoxyphenyl)chromen-4-one is COc1ccccc1-c1cc(=O)c2cc(N)ccc2o1.
What is the InChIKey of 6-amino-2-(2-methoxyphenyl)chromen-4-one?
The InChIKey is ZWYDMTGGOBGURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-9H,17H2,1H3.
What are the key properties of 6-amino-2-(2-methoxyphenyl)chromen-4-one?
6-amino-2-(2-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 6-amino-2-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 18568652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).