2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one

C15H10FNO3 — CID 3011877

IUPAC2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cccc2c(=O)oc(-c3ccccc3F)nc12
InChIInChI=1S/C15H10FNO3/c1-19-12-8-4-6-10-13(12)17-14(20-15(10)18)9-5-2-3-7-11(9)16/h2-8H,1H3
InChIKeyDAZDUJCAVSQBTN-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.00
Rot. Bonds2

About 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one

2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one (PubChem CID 3011877) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one
PubChem CID3011877
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one
SMILESCOc1cccc2c(=O)oc(-c3ccccc3F)nc12
InChIInChI=1S/C15H10FNO3/c1-19-12-8-4-6-10-13(12)17-14(20-15(10)18)9-5-2-3-7-11(9)16/h2-8H,1H3
InChIKeyDAZDUJCAVSQBTN-UHFFFAOYSA-N
XLogP3.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-8-methoxy-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-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one (CID 3011877) is 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one is COc1cccc2c(=O)oc(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one?
The InChIKey is DAZDUJCAVSQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-19-12-8-4-6-10-13(12)17-14(20-15(10)18)9-5-2-3-7-11(9)16/h2-8H,1H3.
What are the key properties of 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one?
2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one has a molecular weight of 271.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-8-methoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 3011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).