11H-benzo[c][1]benzoxepin-6-one

C14H10O2 — CID 827435

IUPAC11H-benzo[c][1]benzoxepin-6-one
SMILESO=C1Oc2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10O2/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16-14/h1-8H,9H2
InChIKeyGGIOIQZXJHGLEB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.81
Rot. Bonds

About 11H-benzo[c][1]benzoxepin-6-one

11H-benzo[c][1]benzoxepin-6-one (PubChem CID 827435) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 11H-benzo[c][1]benzoxepin-6-one.

Molecular Properties

Compound Name11H-benzo[c][1]benzoxepin-6-one
PubChem CID827435
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name11H-benzo[c][1]benzoxepin-6-one
SMILESO=C1Oc2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10O2/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16-14/h1-8H,9H2
InChIKeyGGIOIQZXJHGLEB-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[c][1]benzoxepin-6-one?
The IUPAC name of 11H-benzo[c][1]benzoxepin-6-one (CID 827435) is 11H-benzo[c][1]benzoxepin-6-one.
What is the SMILES notation for 11H-benzo[c][1]benzoxepin-6-one?
The canonical SMILES for 11H-benzo[c][1]benzoxepin-6-one is O=C1Oc2ccccc2Cc2ccccc21.
What is the InChIKey of 11H-benzo[c][1]benzoxepin-6-one?
The InChIKey is GGIOIQZXJHGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16-14/h1-8H,9H2.
What are the key properties of 11H-benzo[c][1]benzoxepin-6-one?
11H-benzo[c][1]benzoxepin-6-one has a molecular weight of 210.23 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[c][1]benzoxepin-6-one is sourced from PubChem (CID 827435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).