4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol

C21H19NO2 — CID 11290082

IUPAC4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol
SMILESCN1CC(O)(c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H19NO2/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
InChIKeyFBTYCJLUZUHXFF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.03
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol

4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol (PubChem CID 11290082) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol
PubChem CID11290082
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol
SMILESCN1CC(O)(c2ccc(-c3ccccc3)cc2)Oc2ccccc21
InChIInChI=1S/C21H19NO2/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
InChIKeyFBTYCJLUZUHXFF-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol 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-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol (CID 11290082) is 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol is CN1CC(O)(c2ccc(-c3ccccc3)cc2)Oc2ccccc21.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol?
The InChIKey is FBTYCJLUZUHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol?
4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol has a molecular weight of 317.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)-3H-1,4-benzoxazin-2-ol is sourced from PubChem (CID 11290082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).