11H-benzo[d][1]benzoxepin-1-one

C14H10O2 — CID 88721510

IUPAC11H-benzo[d][1]benzoxepin-1-one
SMILESO=C1C=CC=C2OC=CC3=CC=CCC3=C12
InChIInChI=1S/C14H10O2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-4,6-9H,5H2
InChIKeyJBPGYMASCRDCRB-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.74
Rot. Bonds

About 11H-benzo[d][1]benzoxepin-1-one

11H-benzo[d][1]benzoxepin-1-one (PubChem CID 88721510) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 11H-benzo[d][1]benzoxepin-1-one.

Molecular Properties

Compound Name11H-benzo[d][1]benzoxepin-1-one
PubChem CID88721510
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name11H-benzo[d][1]benzoxepin-1-one
SMILESO=C1C=CC=C2OC=CC3=CC=CCC3=C12
InChIInChI=1S/C14H10O2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-4,6-9H,5H2
InChIKeyJBPGYMASCRDCRB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11H-benzo[d][1]benzoxepin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[d][1]benzoxepin-1-one?
The IUPAC name of 11H-benzo[d][1]benzoxepin-1-one (CID 88721510) is 11H-benzo[d][1]benzoxepin-1-one.
What is the SMILES notation for 11H-benzo[d][1]benzoxepin-1-one?
The canonical SMILES for 11H-benzo[d][1]benzoxepin-1-one is O=C1C=CC=C2OC=CC3=CC=CCC3=C12.
What is the InChIKey of 11H-benzo[d][1]benzoxepin-1-one?
The InChIKey is JBPGYMASCRDCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-4,6-9H,5H2.
What are the key properties of 11H-benzo[d][1]benzoxepin-1-one?
11H-benzo[d][1]benzoxepin-1-one has a molecular weight of 210.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[d][1]benzoxepin-1-one is sourced from PubChem (CID 88721510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).