3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one

C14H12O2 — CID 57091012

IUPAC3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one
SMILESO=C1C2=CCCC=C2OC=C2C=CC=CC12
InChIInChI=1S/C14H12O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-2,5-9,11H,3-4H2
InChIKeyNUSNWJBLJRIYOW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.82
Rot. Bonds

About 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one

3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one (PubChem CID 57091012) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one.

Molecular Properties

Compound Name3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one
PubChem CID57091012
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one
SMILESO=C1C2=CCCC=C2OC=C2C=CC=CC12
InChIInChI=1S/C14H12O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-2,5-9,11H,3-4H2
InChIKeyNUSNWJBLJRIYOW-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one?
The IUPAC name of 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one (CID 57091012) is 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one.
What is the SMILES notation for 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one?
The canonical SMILES for 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one is O=C1C2=CCCC=C2OC=C2C=CC=CC12.
What is the InChIKey of 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one?
The InChIKey is NUSNWJBLJRIYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-2,5-9,11H,3-4H2.
What are the key properties of 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one?
3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one has a molecular weight of 212.25 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10a-dihydro-2H-benzo[c][1]benzoxepin-11-one is sourced from PubChem (CID 57091012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).