7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine

C20H14ClNO — CID 91809172

IUPAC7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2
InChIInChI=1S/C20H14ClNO/c21-17-10-11-18-20(12-17)23-13-19(22-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyRJFBVAUZKPHMJI-UHFFFAOYSA-N
MW319.79 g/mol
LogP5.52
Rot. Bonds2

About 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine

7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine (PubChem CID 91809172) has the molecular formula C20H14ClNO and a molecular weight of 319.79 g/mol. Its IUPAC name is 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine
PubChem CID91809172
Molecular FormulaC20H14ClNO
Molecular Weight319.79 g/mol
Exact Mass319.08
IUPAC Name7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine
SMILESClc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2
InChIInChI=1S/C20H14ClNO/c21-17-10-11-18-20(12-17)23-13-19(22-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyRJFBVAUZKPHMJI-UHFFFAOYSA-N
XLogP5.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.79
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Chloro-3-(p-tolyl)-2H-benzo[b][1,4]oxazine
CID 44250175
3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine
CID 1489662
3-phenyl-2H-1,4-benzoxazine
CID 1481783
6-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine
CID 1489678
6-chloro-3-phenyl-2H-1,4-benzoxazine
CID 12866794
7-chloro-3-(4-chlorophenyl)-2H-1,4-benzoxazine
CID 45271768
6-fluoro-3-(4-methylphenyl)-2H-1,4-benzoxazine
CID 45271769
4-[2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]phenol
CID 135937299
4-[2-(4-Chlorophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]phenol
CID 135937300
7-Chlorodibenzo(b,f)(1,4)oxazepine
CID 325268
3-4(Chlorophenyl)-2H-benz[b][1,4]oxazine
CID 12866793
N-phenylbenzo[a]phenoxazin-5-imine
CID 13547907

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine (CID 91809172) is 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine is Clc1ccc2c(c1)OCC(c1ccc(-c3ccccc3)cc1)=N2.
What is the InChIKey of 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
The InChIKey is RJFBVAUZKPHMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO/c21-17-10-11-18-20(12-17)23-13-19(22-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine?
7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine has a molecular weight of 319.79 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-phenylphenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 91809172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).