2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one

C16H8ClNO3 — CID 86105957

IUPAC2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one
SMILESO=c1ccc2c(ccc3oc(-c4ccc(Cl)cc4)nc32)o1
InChIInChI=1S/C16H8ClNO3/c17-10-3-1-9(2-4-10)16-18-15-11-5-8-14(19)20-12(11)6-7-13(15)21-16/h1-8H
InChIKeyYAHHAIMFLIHZPU-UHFFFAOYSA-N
MW297.70 g/mol
LogP4.25
Rot. Bonds1

About 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one

2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one (PubChem CID 86105957) has the molecular formula C16H8ClNO3 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one
PubChem CID86105957
Molecular FormulaC16H8ClNO3
Molecular Weight297.70 g/mol
Exact Mass297.02
IUPAC Name2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one
SMILESO=c1ccc2c(ccc3oc(-c4ccc(Cl)cc4)nc32)o1
InChIInChI=1S/C16H8ClNO3/c17-10-3-1-9(2-4-10)16-18-15-11-5-8-14(19)20-12(11)6-7-13(15)21-16/h1-8H
InChIKeyYAHHAIMFLIHZPU-UHFFFAOYSA-N
XLogP4.25
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 54.25
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

2-(4-chlorophenyl)-8-methylpyrano[2,3-e][1,3]benzoxazol-6-one
CID 12846987
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
8-(4-chlorophenyl)-10-phenylpyrano[3,2-f]quinolin-3-one
CID 102129300
6-chlorochromen-2-one
CID 16321
2-(4-chlorophenyl)-1,3-benzoxazole-5-carboxamide
CID 67331843
2-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]aniline
CID 146670605
4-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]aniline
CID 67334689
2-(4-chlorophenyl)-4-methyl-1,3-benzoxazole-6-carboxylic acid
CID 172815570
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
N-[4-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 67332633
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one?
The IUPAC name of 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one (CID 86105957) is 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one?
The canonical SMILES for 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one is O=c1ccc2c(ccc3oc(-c4ccc(Cl)cc4)nc32)o1.
What is the InChIKey of 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one?
The InChIKey is YAHHAIMFLIHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO3/c17-10-3-1-9(2-4-10)16-18-15-11-5-8-14(19)20-12(11)6-7-13(15)21-16/h1-8H.
What are the key properties of 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one?
2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one has a molecular weight of 297.70 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pyrano[3,2-e][1,3]benzoxazol-7-one is sourced from PubChem (CID 86105957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).