2-(4-propoxyphenyl)-3,1-benzoxazin-4-one

C17H15NO3 — CID 3149815

IUPAC2-(4-propoxyphenyl)-3,1-benzoxazin-4-one
SMILESCCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-20-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(19)21-16/h3-10H,2,11H2,1H3
InChIKeyUDAZOUXZOLJYBJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one

2-(4-propoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 3149815) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-propoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID3149815
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(4-propoxyphenyl)-3,1-benzoxazin-4-one
SMILESCCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-20-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(19)21-16/h3-10H,2,11H2,1H3
InChIKeyUDAZOUXZOLJYBJ-UHFFFAOYSA-N
XLogP3.64
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one (CID 3149815) is 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one is CCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is UDAZOUXZOLJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-11-20-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(19)21-16/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one?
2-(4-propoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 3149815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).