4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol

C11H16O3 — CID 68661291

IUPAC4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1(OC)C=C(OC)C(O)=CC1
InChIInChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-5,8,12H,1,6-7H2,2-3H3
InChIKeyYMMSRRJJORIKAF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.32
Rot. Bonds4

About 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol

4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol (PubChem CID 68661291) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol
PubChem CID68661291
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1(OC)C=C(OC)C(O)=CC1
InChIInChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-5,8,12H,1,6-7H2,2-3H3
InChIKeyYMMSRRJJORIKAF-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol 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 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol (CID 68661291) is 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol is C=CCC1(OC)C=C(OC)C(O)=CC1.
What is the InChIKey of 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol?
The InChIKey is YMMSRRJJORIKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-6-11(14-3)7-5-9(12)10(8-11)13-2/h4-5,8,12H,1,6-7H2,2-3H3.
What are the key properties of 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol?
4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-4-prop-2-enylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 68661291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).