3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H12ClNO — CID 102567379

IUPAC3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc(C2COc3ccccc3N2)cc1
InChIInChI=1S/C14H12ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2
InChIKeyBNFQIVBGTSBXGX-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.89
Rot. Bonds1

About 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 102567379) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID102567379
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1ccc(C2COc3ccccc3N2)cc1
InChIInChI=1S/C14H12ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2
InChIKeyBNFQIVBGTSBXGX-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-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 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 102567379) is 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Clc1ccc(C2COc3ccccc3N2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BNFQIVBGTSBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2.
What are the key properties of 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 245.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 102567379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).