2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

C18H13NO4 — CID 134912266

IUPAC2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCOc1ccc(-c2nc3ccc4c(C)cc(=O)oc4c3o2)cc1
InChIInChI=1S/C18H13NO4/c1-10-9-15(20)22-16-13(10)7-8-14-17(16)23-18(19-14)11-3-5-12(21-2)6-4-11/h3-9H,1-2H3
InChIKeyBGVHLESZAATZKM-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (PubChem CID 134912266) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
PubChem CID134912266
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCOc1ccc(-c2nc3ccc4c(C)cc(=O)oc4c3o2)cc1
InChIInChI=1S/C18H13NO4/c1-10-9-15(20)22-16-13(10)7-8-14-17(16)23-18(19-14)11-3-5-12(21-2)6-4-11/h3-9H,1-2H3
InChIKeyBGVHLESZAATZKM-UHFFFAOYSA-N
XLogP3.92
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxyphenyl)benzo[d]oxazole
CID 483837
2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol
CID 135409725
2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol
CID 135409756
7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135442585
2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol
CID 135442595
2-(4-Hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol
CID 135494488
7-Butyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135499774
2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol
CID 135519317
2-(3,4-Dimethoxyphenyl)benzoxazole
CID 2848160
7-Allyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135458122
2-(4-Hydroxy-phenyl)-7-propenyl-benzooxazol-5-ol
CID 136048731
4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The IUPAC name of 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (CID 134912266) is 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is COc1ccc(-c2nc3ccc4c(C)cc(=O)oc4c3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The InChIKey is BGVHLESZAATZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-10-9-15(20)22-16-13(10)7-8-14-17(16)23-18(19-14)11-3-5-12(21-2)6-4-11/h3-9H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one has a molecular weight of 307.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is sourced from PubChem (CID 134912266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).