6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one

C15H10ClNO2 — CID 14117921

IUPAC6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one
SMILESCc1cc(Cl)cc2c(-c3ccccc3)nc(=O)oc12
InChIInChI=1S/C15H10ClNO2/c1-9-7-11(16)8-12-13(10-5-3-2-4-6-10)17-15(18)19-14(9)12/h2-8H,1H3
InChIKeyFHTNKDPZQBZULZ-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.82
Rot. Bonds1

About 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one

6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one (PubChem CID 14117921) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one
PubChem CID14117921
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one
SMILESCc1cc(Cl)cc2c(-c3ccccc3)nc(=O)oc12
InChIInChI=1S/C15H10ClNO2/c1-9-7-11(16)8-12-13(10-5-3-2-4-6-10)17-15(18)19-14(9)12/h2-8H,1H3
InChIKeyFHTNKDPZQBZULZ-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 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one?
The IUPAC name of 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one (CID 14117921) is 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one.
What is the SMILES notation for 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one?
The canonical SMILES for 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one is Cc1cc(Cl)cc2c(-c3ccccc3)nc(=O)oc12.
What is the InChIKey of 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one?
The InChIKey is FHTNKDPZQBZULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-9-7-11(16)8-12-13(10-5-3-2-4-6-10)17-15(18)19-14(9)12/h2-8H,1H3.
What are the key properties of 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one?
6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-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 6-chloro-8-methyl-4-phenyl-1,3-benzoxazin-2-one is sourced from PubChem (CID 14117921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).