6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one

C12H16O2 — CID 174600201

IUPAC6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one
SMILESCC(C1CCCO1)C1C=CC=CC1=O
InChIInChI=1S/C12H16O2/c1-9(12-7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,9-10,12H,4,7-8H2,1H3
InChIKeyORGAZABEAJHUPG-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.11
Rot. Bonds2

About 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one

6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one (PubChem CID 174600201) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one
PubChem CID174600201
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one
SMILESCC(C1CCCO1)C1C=CC=CC1=O
InChIInChI=1S/C12H16O2/c1-9(12-7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,9-10,12H,4,7-8H2,1H3
InChIKeyORGAZABEAJHUPG-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-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 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one (CID 174600201) is 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one is CC(C1CCCO1)C1C=CC=CC1=O.
What is the InChIKey of 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one?
The InChIKey is ORGAZABEAJHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(12-7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,9-10,12H,4,7-8H2,1H3.
What are the key properties of 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one?
6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(oxolan-2-yl)ethyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 174600201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).