2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one

C15H10ClNO2 — CID 694916

IUPAC2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2c(=O)oc(-c3ccccc3Cl)nc12
InChIInChI=1S/C15H10ClNO2/c1-9-5-4-7-11-13(9)17-14(19-15(11)18)10-6-2-3-8-12(10)16/h2-8H,1H3
InChIKeyMOCSZHZXZSPFMB-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.82
Rot. Bonds1

About 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one

2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one (PubChem CID 694916) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one
PubChem CID694916
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one
SMILESCc1cccc2c(=O)oc(-c3ccccc3Cl)nc12
InChIInChI=1S/C15H10ClNO2/c1-9-5-4-7-11-13(9)17-14(19-15(11)18)10-6-2-3-8-12(10)16/h2-8H,1H3
InChIKeyMOCSZHZXZSPFMB-UHFFFAOYSA-N
XLogP3.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one (CID 694916) is 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one is Cc1cccc2c(=O)oc(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one?
The InChIKey is MOCSZHZXZSPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-9-5-4-7-11-13(9)17-14(19-15(11)18)10-6-2-3-8-12(10)16/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one?
2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one has a molecular weight of 271.70 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 694916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).