2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one

C17H10ClNO3 — CID 86105930

IUPAC2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1oc(-c3ccccc3Cl)nc12
InChIInChI=1S/C17H10ClNO3/c1-9-8-14(20)22-16-10(9)6-7-13-15(16)19-17(21-13)11-4-2-3-5-12(11)18/h2-8H,1H3
InChIKeyJGVHZGZJBDXIDT-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.56
Rot. Bonds1

About 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one

2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one (PubChem CID 86105930) has the molecular formula C17H10ClNO3 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one
PubChem CID86105930
Molecular FormulaC17H10ClNO3
Molecular Weight311.72 g/mol
Exact Mass311.03
IUPAC Name2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1oc(-c3ccccc3Cl)nc12
InChIInChI=1S/C17H10ClNO3/c1-9-8-14(20)22-16-10(9)6-7-13-15(16)19-17(21-13)11-4-2-3-5-12(11)18/h2-8H,1H3
InChIKeyJGVHZGZJBDXIDT-UHFFFAOYSA-N
XLogP4.56
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione
CID 11724094
4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
CID 58065693
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
1-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 95474684
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
2-(4-chlorophenyl)-8-methylpyrano[2,3-e][1,3]benzoxazol-6-one
CID 12846987
6-chloro-2-[5-(2-chlorophenyl)-1-methylpyrazol-4-yl]-8-methyl-3,1-benzoxazin-4-one
CID 66854333
4-chloro-3-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 54909808
17,18-dichloro-7-methyl-4-oxa-12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),6,9,13,15,17,19-nonaen-5-one
CID 102288339
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one?
The IUPAC name of 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one (CID 86105930) is 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one is Cc1cc(=O)oc2c1ccc1oc(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one?
The InChIKey is JGVHZGZJBDXIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO3/c1-9-8-14(20)22-16-10(9)6-7-13-15(16)19-17(21-13)11-4-2-3-5-12(11)18/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one?
2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one has a molecular weight of 311.72 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one is sourced from PubChem (CID 86105930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).