4-anilino-3-phenylchromen-2-one

C21H15NO2 — CID 2785512

IUPAC4-anilino-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(Nc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H15NO2/c23-21-19(15-9-3-1-4-10-15)20(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)24-21/h1-14,22H
InChIKeyNDPRNILDOGAEJE-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.20
Rot. Bonds3

About 4-anilino-3-phenylchromen-2-one

4-anilino-3-phenylchromen-2-one (PubChem CID 2785512) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-anilino-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-anilino-3-phenylchromen-2-one
PubChem CID2785512
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name4-anilino-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(Nc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H15NO2/c23-21-19(15-9-3-1-4-10-15)20(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)24-21/h1-14,22H
InChIKeyNDPRNILDOGAEJE-UHFFFAOYSA-N
XLogP5.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-3-phenylchromen-2-one?
The IUPAC name of 4-anilino-3-phenylchromen-2-one (CID 2785512) is 4-anilino-3-phenylchromen-2-one.
What is the SMILES notation for 4-anilino-3-phenylchromen-2-one?
The canonical SMILES for 4-anilino-3-phenylchromen-2-one is O=c1oc2ccccc2c(Nc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-anilino-3-phenylchromen-2-one?
The InChIKey is NDPRNILDOGAEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21-19(15-9-3-1-4-10-15)20(22-16-11-5-2-6-12-16)17-13-7-8-14-18(17)24-21/h1-14,22H.
What are the key properties of 4-anilino-3-phenylchromen-2-one?
4-anilino-3-phenylchromen-2-one has a molecular weight of 313.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3-phenylchromen-2-one is sourced from PubChem (CID 2785512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).