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

C16H13NO3 — CID 23001741

IUPAC6-amino-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1
InChIInChI=1S/C16H13NO3/c1-19-12-4-2-3-10(7-12)16-9-14(18)13-8-11(17)5-6-15(13)20-16/h2-9H,17H2,1H3
InChIKeyNDCDTPAEOHKHRO-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.05
Rot. Bonds2

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

6-amino-2-(3-methoxyphenyl)chromen-4-one (PubChem CID 23001741) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-amino-2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-amino-2-(3-methoxyphenyl)chromen-4-one
PubChem CID23001741
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name6-amino-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1
InChIInChI=1S/C16H13NO3/c1-19-12-4-2-3-10(7-12)16-9-14(18)13-8-11(17)5-6-15(13)20-16/h2-9H,17H2,1H3
InChIKeyNDCDTPAEOHKHRO-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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Related Compounds

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CID 4713
1-Amino-4-methoxyanthraquinone
CID 8321
6-Amino-3-phenyl-2H-chromen-2-one
CID 617017
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
CID 127714
2-(3-Nitrophenyl)-4h-chromen-4-one
CID 252248
6-Nitro-2-phenylchromen-4-one
CID 15731470
2,7-diamino-9H-xanthen-9-one
CID 2770072
6-Aminoflavone
CID 16217320
6-amino-4H-chromen-4-one
CID 19438826
4'-Amino-6-hydroxyflavone
CID 125519
N-[3-methoxy-2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49863978
N-[2-(3-methoxyphenyl)-4-oxo-chromen-6-yl]acetamide
CID 49864135

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-amino-2-(3-methoxyphenyl)chromen-4-one (CID 23001741) is 6-amino-2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-amino-2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-amino-2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2cc(=O)c3cc(N)ccc3o2)c1.
What is the InChIKey of 6-amino-2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is NDCDTPAEOHKHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-4-2-3-10(7-12)16-9-14(18)13-8-11(17)5-6-15(13)20-16/h2-9H,17H2,1H3.
What are the key properties of 6-amino-2-(3-methoxyphenyl)chromen-4-one?
6-amino-2-(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 6-amino-2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 23001741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).