4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one

C20H14FNO3 — CID 149296008

IUPAC4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc(O)cc3)cc2N1c1ccc(F)cc1
InChIInChI=1S/C20H14FNO3/c21-15-4-6-16(7-5-15)22-18-11-14(13-1-8-17(23)9-2-13)3-10-19(18)25-12-20(22)24/h1-11,23H,12H2
InChIKeyXVULYBPMMOTGJX-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.26
Rot. Bonds2

About 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one

4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one (PubChem CID 149296008) has the molecular formula C20H14FNO3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one
PubChem CID149296008
Molecular FormulaC20H14FNO3
Molecular Weight335.33 g/mol
Exact Mass335.10
IUPAC Name4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc(O)cc3)cc2N1c1ccc(F)cc1
InChIInChI=1S/C20H14FNO3/c21-15-4-6-16(7-5-15)22-18-11-14(13-1-8-17(23)9-2-13)3-10-19(18)25-12-20(22)24/h1-11,23H,12H2
InChIKeyXVULYBPMMOTGJX-UHFFFAOYSA-N
XLogP4.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-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 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one (CID 149296008) is 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3ccc(O)cc3)cc2N1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one?
The InChIKey is XVULYBPMMOTGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3/c21-15-4-6-16(7-5-15)22-18-11-14(13-1-8-17(23)9-2-13)3-10-19(18)25-12-20(22)24/h1-11,23H,12H2.
What are the key properties of 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one?
4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one has a molecular weight of 335.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 149296008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).