2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine

C18H21NO2 — CID 168876188

IUPAC2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine
SMILESCCC1(CC)Oc2ccccc2C(c2ccccc2)N1O
InChIInChI=1S/C18H21NO2/c1-3-18(4-2)19(20)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-18/h5-13,17,20H,3-4H2,1-2H3
InChIKeyLWWGWDMDQNFXKS-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.38
Rot. Bonds3

About 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine

2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine (PubChem CID 168876188) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine.

Molecular Properties

Compound Name2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine
PubChem CID168876188
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine
SMILESCCC1(CC)Oc2ccccc2C(c2ccccc2)N1O
InChIInChI=1S/C18H21NO2/c1-3-18(4-2)19(20)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-18/h5-13,17,20H,3-4H2,1-2H3
InChIKeyLWWGWDMDQNFXKS-UHFFFAOYSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine 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-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine?
The IUPAC name of 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine (CID 168876188) is 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine.
What is the SMILES notation for 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine?
The canonical SMILES for 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine is CCC1(CC)Oc2ccccc2C(c2ccccc2)N1O.
What is the InChIKey of 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine?
The InChIKey is LWWGWDMDQNFXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-18(4-2)19(20)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-18/h5-13,17,20H,3-4H2,1-2H3.
What are the key properties of 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine?
2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine has a molecular weight of 283.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-hydroxy-4-phenyl-4H-1,3-benzoxazine is sourced from PubChem (CID 168876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).