2-(2-amino-5-methoxyphenyl)chromen-4-one

C16H13NO3 — CID 155414539

IUPAC2-(2-amino-5-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(N)c(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C16H13NO3/c1-19-10-6-7-13(17)12(8-10)16-9-14(18)11-4-2-3-5-15(11)20-16/h2-9H,17H2,1H3
InChIKeyDQHPWRZTRSIHAS-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-amino-5-methoxyphenyl)chromen-4-one

2-(2-amino-5-methoxyphenyl)chromen-4-one (PubChem CID 155414539) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)chromen-4-one
PubChem CID155414539
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2-amino-5-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(N)c(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C16H13NO3/c1-19-10-6-7-13(17)12(8-10)16-9-14(18)11-4-2-3-5-15(11)20-16/h2-9H,17H2,1H3
InChIKeyDQHPWRZTRSIHAS-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-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(2-hydroxyphenyl)chromen-4-one;N-(4-methoxyphenyl)acetamide
CID 70163906
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(2-methylphenyl)chromen-4-one
CID 776385
2-(3-amino-4-hydroxyphenyl)chromen-4-one
CID 10422373
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)chromen-4-one (CID 155414539) is 2-(2-amino-5-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)chromen-4-one is COc1ccc(N)c(-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)chromen-4-one?
The InChIKey is DQHPWRZTRSIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-10-6-7-13(17)12(8-10)16-9-14(18)11-4-2-3-5-15(11)20-16/h2-9H,17H2,1H3.
What are the key properties of 2-(2-amino-5-methoxyphenyl)chromen-4-one?
2-(2-amino-5-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-5-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 155414539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).