6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C16H15Cl2NO — CID 107676512

IUPAC6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc(C2CNc3cc(Cl)cc(Cl)c3O2)cc1
InChIInChI=1S/C16H15Cl2NO/c1-2-10-3-5-11(6-4-10)15-9-19-14-8-12(17)7-13(18)16(14)20-15/h3-8,15,19H,2,9H2,1H3
InChIKeyGCWZTBZCZPCAKE-UHFFFAOYSA-N
MW308.21 g/mol
LogP5.10
Rot. Bonds2

About 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine

6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 107676512) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID107676512
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCc1ccc(C2CNc3cc(Cl)cc(Cl)c3O2)cc1
InChIInChI=1S/C16H15Cl2NO/c1-2-10-3-5-11(6-4-10)15-9-19-14-8-12(17)7-13(18)16(14)20-15/h3-8,15,19H,2,9H2,1H3
InChIKeyGCWZTBZCZPCAKE-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-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 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 107676512) is 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is CCc1ccc(C2CNc3cc(Cl)cc(Cl)c3O2)cc1.
What is the InChIKey of 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is GCWZTBZCZPCAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-10-3-5-11(6-4-10)15-9-19-14-8-12(17)7-13(18)16(14)20-15/h3-8,15,19H,2,9H2,1H3.
What are the key properties of 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 308.21 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 107676512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).