6H-benzo[c][1,2]benzoxazine

C12H9NO — CID 22639574

IUPAC6H-benzo[c][1,2]benzoxazine
SMILESc1ccc2c(c1)NOc1ccccc1-2
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8,13H
InChIKeyFRQPHGSNRQEKOX-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.07
Rot. Bonds

About 6H-benzo[c][1,2]benzoxazine

6H-benzo[c][1,2]benzoxazine (PubChem CID 22639574) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 6H-benzo[c][1,2]benzoxazine.

Molecular Properties

Compound Name6H-benzo[c][1,2]benzoxazine
PubChem CID22639574
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name6H-benzo[c][1,2]benzoxazine
SMILESc1ccc2c(c1)NOc1ccccc1-2
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8,13H
InChIKeyFRQPHGSNRQEKOX-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2'-Aminobiphenyl-2-ol
CID 1207248
2-[(E)-2-(2-aminophenyl)ethenyl]phenol
CID 127034961
3-Phenyl-2h-benzoxazine
CID 67469621
2-[2-[Hydroxy(sulfanyl)amino]phenyl]phenol
CID 87134728
3-Phenyl-3,4-dihydro-2h-benzoxazine
CID 129833831
N-[2-(trifluoromethyl)phenoxy]aniline
CID 53698494
N-phenoxy-2-(trifluoromethyl)aniline
CID 53875123
N-(4-fluoro-2-methylphenoxy)aniline
CID 140257928
N-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 150638092
1-(4-fluorophenyl)-6H-benzo[c][1,2]benzoxazine
CID 172754580
3-phenyl-1H-2,1-benzoxazine
CID 86094062
Magnesium;phenoxy-(2-phenylphenyl)azanide;bromide
CID 146163803

Frequently Asked Questions

What is the IUPAC name of 6H-benzo[c][1,2]benzoxazine?
The IUPAC name of 6H-benzo[c][1,2]benzoxazine (CID 22639574) is 6H-benzo[c][1,2]benzoxazine.
What is the SMILES notation for 6H-benzo[c][1,2]benzoxazine?
The canonical SMILES for 6H-benzo[c][1,2]benzoxazine is c1ccc2c(c1)NOc1ccccc1-2.
What is the InChIKey of 6H-benzo[c][1,2]benzoxazine?
The InChIKey is FRQPHGSNRQEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8,13H.
What are the key properties of 6H-benzo[c][1,2]benzoxazine?
6H-benzo[c][1,2]benzoxazine has a molecular weight of 183.21 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzo[c][1,2]benzoxazine is sourced from PubChem (CID 22639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).