6-amino-2-(3-methylphenyl)chromen-4-one

C16H13NO2 — CID 18568648

IUPAC6-amino-2-(3-methylphenyl)chromen-4-one
SMILESCc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,17H2,1H3
InChIKeyPZCDWXANMGPIEQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.35
Rot. Bonds1

About 6-amino-2-(3-methylphenyl)chromen-4-one

6-amino-2-(3-methylphenyl)chromen-4-one (PubChem CID 18568648) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-amino-2-(3-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-amino-2-(3-methylphenyl)chromen-4-one
PubChem CID18568648
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name6-amino-2-(3-methylphenyl)chromen-4-one
SMILESCc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1
InChIInChI=1S/C16H13NO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,17H2,1H3
InChIKeyPZCDWXANMGPIEQ-UHFFFAOYSA-N
XLogP3.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.35
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 6-amino-2-(3-methylphenyl)chromen-4-one?
The IUPAC name of 6-amino-2-(3-methylphenyl)chromen-4-one (CID 18568648) is 6-amino-2-(3-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-amino-2-(3-methylphenyl)chromen-4-one?
The canonical SMILES for 6-amino-2-(3-methylphenyl)chromen-4-one is Cc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1.
What is the InChIKey of 6-amino-2-(3-methylphenyl)chromen-4-one?
The InChIKey is PZCDWXANMGPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,17H2,1H3.
What are the key properties of 6-amino-2-(3-methylphenyl)chromen-4-one?
6-amino-2-(3-methylphenyl)chromen-4-one has a molecular weight of 251.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-methylphenyl)chromen-4-one is sourced from PubChem (CID 18568648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).