6-methylbenzo[b][1,4]benzoxazepine

C14H11NO — CID 17870

IUPAC6-methylbenzo[b][1,4]benzoxazepine
SMILESCC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO/c1-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15-10/h2-9H,1H3
InChIKeyYOEHNTZDRKGNJG-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.93
Rot. Bonds

About 6-methylbenzo[b][1,4]benzoxazepine

6-methylbenzo[b][1,4]benzoxazepine (PubChem CID 17870) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methylbenzo[b][1,4]benzoxazepine.

Molecular Properties

Compound Name6-methylbenzo[b][1,4]benzoxazepine
PubChem CID17870
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6-methylbenzo[b][1,4]benzoxazepine
SMILESCC1=Nc2ccccc2Oc2ccccc21
InChIInChI=1S/C14H11NO/c1-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15-10/h2-9H,1H3
InChIKeyYOEHNTZDRKGNJG-UHFFFAOYSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenz(B,F)(1,4)Oxazepine
CID 9213
2-(o-Tolyloxy)aniline
CID 19692
2-Benzyloxyaniline
CID 240548
Dibenzo[B,F][1,4]Oxazepine-4-Carbonitrile
CID 18690881
Dibenzo[B,F][1,4]Oxazepine-6-Carbonitrile
CID 49780147
3-Chloro-6-methylbenzo[b][1,4]benzoxazepine
CID 780276
3-(4-methoxyphenyl)-2H-1,4-benzoxazine
CID 1481803
Benzo[b][1,4]benzoxazepin-6-amine
CID 3320059
3-Methoxydibenzo[B,F][1,4]Oxazepine
CID 12286507
3-phenyl-2H-1,4-benzoxazine
CID 1481783
2-(p-Tolyloxy)aniline
CID 88730
N-(2-Methoxybenzylidene)aniline
CID 564582

Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[b][1,4]benzoxazepine?
The IUPAC name of 6-methylbenzo[b][1,4]benzoxazepine (CID 17870) is 6-methylbenzo[b][1,4]benzoxazepine.
What is the SMILES notation for 6-methylbenzo[b][1,4]benzoxazepine?
The canonical SMILES for 6-methylbenzo[b][1,4]benzoxazepine is CC1=Nc2ccccc2Oc2ccccc21.
What is the InChIKey of 6-methylbenzo[b][1,4]benzoxazepine?
The InChIKey is YOEHNTZDRKGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15-10/h2-9H,1H3.
What are the key properties of 6-methylbenzo[b][1,4]benzoxazepine?
6-methylbenzo[b][1,4]benzoxazepine has a molecular weight of 209.25 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[b][1,4]benzoxazepine is sourced from PubChem (CID 17870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).