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

C17H15NO3 — CID 9320225

IUPAC2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCCOc1ccccc1-c1nc2ccc(C)cc2c(=O)o1
InChIInChI=1S/C17H15NO3/c1-3-20-15-7-5-4-6-12(15)16-18-14-9-8-11(2)10-13(14)17(19)21-16/h4-10H,3H2,1-2H3
InChIKeyCZDVIBFKJVSODC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.56
Rot. Bonds3

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

2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one (PubChem CID 9320225) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
PubChem CID9320225
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCCOc1ccccc1-c1nc2ccc(C)cc2c(=O)o1
InChIInChI=1S/C17H15NO3/c1-3-20-15-7-5-4-6-12(15)16-18-14-9-8-11(2)10-13(14)17(19)21-16/h4-10H,3H2,1-2H3
InChIKeyCZDVIBFKJVSODC-UHFFFAOYSA-N
XLogP3.56
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one (CID 9320225) is 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one is CCOc1ccccc1-c1nc2ccc(C)cc2c(=O)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one?
The InChIKey is CZDVIBFKJVSODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-20-15-7-5-4-6-12(15)16-18-14-9-8-11(2)10-13(14)17(19)21-16/h4-10H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one?
2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-6-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 9320225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).