4-(4-methoxyanilino)chromen-2-one

C16H13NO3 — CID 804466

IUPAC4-(4-methoxyanilino)chromen-2-one
SMILESCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)17-14-10-16(18)20-15-5-3-2-4-13(14)15/h2-10,17H,1H3
InChIKeyRLYGOWSMMOJJCI-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-methoxyanilino)chromen-2-one

4-(4-methoxyanilino)chromen-2-one (PubChem CID 804466) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(4-methoxyanilino)chromen-2-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)chromen-2-one
PubChem CID804466
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name4-(4-methoxyanilino)chromen-2-one
SMILESCOc1ccc(Nc2cc(=O)oc3ccccc23)cc1
InChIInChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)17-14-10-16(18)20-15-5-3-2-4-13(14)15/h2-10,17H,1H3
InChIKeyRLYGOWSMMOJJCI-UHFFFAOYSA-N
XLogP3.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyanilino)chromen-2-one?
The IUPAC name of 4-(4-methoxyanilino)chromen-2-one (CID 804466) is 4-(4-methoxyanilino)chromen-2-one.
What is the SMILES notation for 4-(4-methoxyanilino)chromen-2-one?
The canonical SMILES for 4-(4-methoxyanilino)chromen-2-one is COc1ccc(Nc2cc(=O)oc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyanilino)chromen-2-one?
The InChIKey is RLYGOWSMMOJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)17-14-10-16(18)20-15-5-3-2-4-13(14)15/h2-10,17H,1H3.
What are the key properties of 4-(4-methoxyanilino)chromen-2-one?
4-(4-methoxyanilino)chromen-2-one has a molecular weight of 267.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)chromen-2-one is sourced from PubChem (CID 804466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).