2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one

C15H9Cl2NO2 — CID 3587331

IUPAC2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc(=O)c2c1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-5-13-10(6-8)15(19)20-14(18-13)9-3-4-11(16)12(17)7-9/h2-7H,1H3
InChIKeyRPCPVMVSSGLOIZ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.47
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one

2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one (PubChem CID 3587331) has the molecular formula C15H9Cl2NO2 and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
PubChem CID3587331
Molecular FormulaC15H9Cl2NO2
Molecular Weight306.15 g/mol
Exact Mass305.00
IUPAC Name2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc(=O)c2c1
InChIInChI=1S/C15H9Cl2NO2/c1-8-2-5-13-10(6-8)15(19)20-14(18-13)9-3-4-11(16)12(17)7-9/h2-7H,1H3
InChIKeyRPCPVMVSSGLOIZ-UHFFFAOYSA-N
XLogP4.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one (CID 3587331) is 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one is Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc(=O)c2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The InChIKey is RPCPVMVSSGLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2/c1-8-2-5-13-10(6-8)15(19)20-14(18-13)9-3-4-11(16)12(17)7-9/h2-7H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one?
2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one has a molecular weight of 306.15 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 3587331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).