8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

C10H10O2 — CID 130030444

IUPAC8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESCCOC1C(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-12-10-8-6-4-3-5-7(8)9(10)11/h3-6,10H,2H2,1H3
InChIKeyUPLNQQFPHPZHFS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.96
Rot. Bonds2

About 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one

8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (PubChem CID 130030444) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one.

Molecular Properties

Compound Name8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
PubChem CID130030444
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESCCOC1C(=O)c2ccccc21
InChIInChI=1S/C10H10O2/c1-2-12-10-8-6-4-3-5-7(8)9(10)11/h3-6,10H,2H2,1H3
InChIKeyUPLNQQFPHPZHFS-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The IUPAC name of 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (CID 130030444) is 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one.
What is the SMILES notation for 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The canonical SMILES for 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is CCOC1C(=O)c2ccccc21.
What is the InChIKey of 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
The InChIKey is UPLNQQFPHPZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-12-10-8-6-4-3-5-7(8)9(10)11/h3-6,10H,2H2,1H3.
What are the key properties of 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one?
8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one has a molecular weight of 162.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one is sourced from PubChem (CID 130030444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).