2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one

C15H10ClNO3 — CID 71330911

IUPAC2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)oc(=O)c2c1
InChIInChI=1S/C15H10ClNO3/c1-19-11-6-7-13-12(8-11)15(18)20-14(17-13)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyGTCWUCSUPUFEFA-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.52
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one

2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one (PubChem CID 71330911) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
PubChem CID71330911
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3)oc(=O)c2c1
InChIInChI=1S/C15H10ClNO3/c1-19-11-6-7-13-12(8-11)15(18)20-14(17-13)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyGTCWUCSUPUFEFA-UHFFFAOYSA-N
XLogP3.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one (CID 71330911) is 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one is COc1ccc2nc(-c3ccc(Cl)cc3)oc(=O)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one?
The InChIKey is GTCWUCSUPUFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-19-11-6-7-13-12(8-11)15(18)20-14(17-13)9-2-4-10(16)5-3-9/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one?
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one has a molecular weight of 287.70 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 71330911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).