8-amino-3-methyl-2-phenylchromen-4-one

C16H13NO2 — CID 19972808

IUPAC8-amino-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(N)cccc2c1=O
InChIInChI=1S/C16H13NO2/c1-10-14(18)12-8-5-9-13(17)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,17H2,1H3
InChIKeyAECRGCYUBPXQBU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.35
Rot. Bonds1

About 8-amino-3-methyl-2-phenylchromen-4-one

8-amino-3-methyl-2-phenylchromen-4-one (PubChem CID 19972808) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 8-amino-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-amino-3-methyl-2-phenylchromen-4-one
PubChem CID19972808
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name8-amino-3-methyl-2-phenylchromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(N)cccc2c1=O
InChIInChI=1S/C16H13NO2/c1-10-14(18)12-8-5-9-13(17)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,17H2,1H3
InChIKeyAECRGCYUBPXQBU-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 ≤ 500251.29
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 8-amino-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-amino-3-methyl-2-phenylchromen-4-one (CID 19972808) is 8-amino-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-amino-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-amino-3-methyl-2-phenylchromen-4-one is Cc1c(-c2ccccc2)oc2c(N)cccc2c1=O.
What is the InChIKey of 8-amino-3-methyl-2-phenylchromen-4-one?
The InChIKey is AECRGCYUBPXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-14(18)12-8-5-9-13(17)16(12)19-15(10)11-6-3-2-4-7-11/h2-9H,17H2,1H3.
What are the key properties of 8-amino-3-methyl-2-phenylchromen-4-one?
8-amino-3-methyl-2-phenylchromen-4-one has a molecular weight of 251.29 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 8-amino-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 19972808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).