2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

C20H19NO — CID 5050043

IUPAC2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCCc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C20H19NO/c1-2-15-7-10-17(11-8-15)21-13-19-18-6-4-3-5-16(18)9-12-20(19)22-14-21/h3-12H,2,13-14H2,1H3
InChIKeyDXONLHKTZWGRRD-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.76
Rot. Bonds2

About 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine

2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (PubChem CID 5050043) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
PubChem CID5050043
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine
SMILESCCc1ccc(N2COc3ccc4ccccc4c3C2)cc1
InChIInChI=1S/C20H19NO/c1-2-15-7-10-17(11-8-15)21-13-19-18-6-4-3-5-16(18)9-12-20(19)22-14-21/h3-12H,2,13-14H2,1H3
InChIKeyDXONLHKTZWGRRD-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][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-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The IUPAC name of 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine (CID 5050043) is 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is CCc1ccc(N2COc3ccc4ccccc4c3C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
The InChIKey is DXONLHKTZWGRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-15-7-10-17(11-8-15)21-13-19-18-6-4-3-5-16(18)9-12-20(19)22-14-21/h3-12H,2,13-14H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine?
2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine has a molecular weight of 289.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,3-dihydrobenzo[f][1,3]benzoxazine is sourced from PubChem (CID 5050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).