6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one

C17H11NO3 — CID 134911852

IUPAC6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1nc(-c3ccccc3)oc12
InChIInChI=1S/C17H11NO3/c1-10-9-14(19)20-15-12(10)7-8-13-16(15)21-17(18-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCHIHJTGZHHKGDZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.91
Rot. Bonds1

About 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one

6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one (PubChem CID 134911852) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one
PubChem CID134911852
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1nc(-c3ccccc3)oc12
InChIInChI=1S/C17H11NO3/c1-10-9-14(19)20-15-12(10)7-8-13-16(15)21-17(18-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCHIHJTGZHHKGDZ-UHFFFAOYSA-N
XLogP3.91
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
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 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one?
The IUPAC name of 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one (CID 134911852) is 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one.
What is the SMILES notation for 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one?
The canonical SMILES for 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one is Cc1cc(=O)oc2c1ccc1nc(-c3ccccc3)oc12.
What is the InChIKey of 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one?
The InChIKey is CHIHJTGZHHKGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c1-10-9-14(19)20-15-12(10)7-8-13-16(15)21-17(18-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one?
6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one has a molecular weight of 277.28 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylpyrano[3,2-g][1,3]benzoxazol-8-one is sourced from PubChem (CID 134911852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).