2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

C10H14O3 — CID 12927625

IUPAC2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
SMILESCCOC1=CC(C)(C)C=C(O)C1=O
InChIInChI=1S/C10H14O3/c1-4-13-8-6-10(2,3)5-7(11)9(8)12/h5-6,11H,4H2,1-3H3
InChIKeyMEYDNEYTXNBDIN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.96
Rot. Bonds2

About 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 12927625) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
PubChem CID12927625
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
SMILESCCOC1=CC(C)(C)C=C(O)C1=O
InChIInChI=1S/C10H14O3/c1-4-13-8-6-10(2,3)5-7(11)9(8)12/h5-6,11H,4H2,1-3H3
InChIKeyMEYDNEYTXNBDIN-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-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 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one (CID 12927625) is 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one is CCOC1=CC(C)(C)C=C(O)C1=O.
What is the InChIKey of 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is MEYDNEYTXNBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-13-8-6-10(2,3)5-7(11)9(8)12/h5-6,11H,4H2,1-3H3.
What are the key properties of 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one?
2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 182.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-hydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 12927625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).