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

C16H13NO3 — CID 714792

IUPAC2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H13NO3/c1-2-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18)20-15/h3-10H,2H2,1H3
InChIKeyKMQIYGBEGPWIJH-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.25
Rot. Bonds3

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

2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 714792) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID714792
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one
SMILESCCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H13NO3/c1-2-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18)20-15/h3-10H,2H2,1H3
InChIKeyKMQIYGBEGPWIJH-UHFFFAOYSA-N
XLogP3.25
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 708717
2-(3,4,5-Trimethoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 292880
2-(2-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 752387
[2-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]phenyl] acetate
CID 5291337
[4-oxo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-6-yl] acetate
CID 5377701
4-[(E)-2-(4-oxo-4H-3,1-benzoxazin-2-yl)ethenyl]phenyl acetate
CID 5718167
4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl acetate
CID 741510
2-(3-methoxyphenyl)-4H-3,1-benzoxazin-4-one
CID 699931
2-(4-Methoxyphenyl)indol-3-one
CID 2308516
p-Methoxybenzylideneanthranilic acid
CID 101290
Benzoic acid, 2-(((4-methoxyphenyl)methylene)amino)-, methyl ester
CID 84614
Benzoic acid, 2-((3-(4-methoxyphenyl)-2-methylpropylidene)amino)-, methyl ester
CID 3034267

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one (CID 714792) is 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one is CCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is KMQIYGBEGPWIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18)20-15/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one?
2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 267.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 714792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).