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

C15H11NO3 — CID 752387

IUPAC2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
InChIKeyUAVIZUPEDGFRTN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.86
Rot. Bonds2

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

2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 752387) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID752387
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)o1
InChIInChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3
InChIKeyUAVIZUPEDGFRTN-UHFFFAOYSA-N
XLogP2.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (CID 752387) is 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is UAVIZUPEDGFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(17)19-14/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
2-(2-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 253.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 752387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).