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

C16H14O2 — CID 13052208

IUPAC2-ethyl-6H-benzo[c][1]benzoxepin-11-one
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1CO2
InChIInChI=1S/C16H14O2/c1-2-11-7-8-15-14(9-11)16(17)13-6-4-3-5-12(13)10-18-15/h3-9H,2,10H2,1H3
InChIKeyDGFXNUDQKGZCGK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.37
Rot. Bonds1

About 2-ethyl-6H-benzo[c][1]benzoxepin-11-one

2-ethyl-6H-benzo[c][1]benzoxepin-11-one (PubChem CID 13052208) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-6H-benzo[c][1]benzoxepin-11-one.

Molecular Properties

Compound Name2-ethyl-6H-benzo[c][1]benzoxepin-11-one
PubChem CID13052208
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-ethyl-6H-benzo[c][1]benzoxepin-11-one
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1CO2
InChIInChI=1S/C16H14O2/c1-2-11-7-8-15-14(9-11)16(17)13-6-4-3-5-12(13)10-18-15/h3-9H,2,10H2,1H3
InChIKeyDGFXNUDQKGZCGK-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6H-benzo[c][1]benzoxepin-11-one?
The IUPAC name of 2-ethyl-6H-benzo[c][1]benzoxepin-11-one (CID 13052208) is 2-ethyl-6H-benzo[c][1]benzoxepin-11-one.
What is the SMILES notation for 2-ethyl-6H-benzo[c][1]benzoxepin-11-one?
The canonical SMILES for 2-ethyl-6H-benzo[c][1]benzoxepin-11-one is CCc1ccc2c(c1)C(=O)c1ccccc1CO2.
What is the InChIKey of 2-ethyl-6H-benzo[c][1]benzoxepin-11-one?
The InChIKey is DGFXNUDQKGZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-11-7-8-15-14(9-11)16(17)13-6-4-3-5-12(13)10-18-15/h3-9H,2,10H2,1H3.
What are the key properties of 2-ethyl-6H-benzo[c][1]benzoxepin-11-one?
2-ethyl-6H-benzo[c][1]benzoxepin-11-one has a molecular weight of 238.29 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6H-benzo[c][1]benzoxepin-11-one is sourced from PubChem (CID 13052208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).