11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol

C19H15NO2 — CID 14677712

IUPAC11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
SMILESOC1(c2ccncc2)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H15NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-12,21H,13H2
InChIKeyHGDQLGGSMUMUIO-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.26
Rot. Bonds1

About 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol

11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol (PubChem CID 14677712) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
PubChem CID14677712
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
SMILESOC1(c2ccncc2)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H15NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-12,21H,13H2
InChIKeyHGDQLGGSMUMUIO-UHFFFAOYSA-N
XLogP3.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The IUPAC name of 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol (CID 14677712) is 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol is OC1(c2ccncc2)c2ccccc2COc2ccccc21.
What is the InChIKey of 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The InChIKey is HGDQLGGSMUMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-12,21H,13H2.
What are the key properties of 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol has a molecular weight of 289.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 14677712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).