2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

C10H14O2 — CID 57057451

IUPAC2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CCC=C(OC)C1O
InChIInChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3
InChIKeyKSUMNEXQEZOWJP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.78
Rot. Bonds3

About 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (PubChem CID 57057451) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
PubChem CID57057451
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CCC=C(OC)C1O
InChIInChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3
InChIKeyKSUMNEXQEZOWJP-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-prop-2-enylcyclohexa-2,5-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 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (CID 57057451) is 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is C=CCC1=CCC=C(OC)C1O.
What is the InChIKey of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The InChIKey is KSUMNEXQEZOWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3,6-7,10-11H,1,4-5H2,2H3.
What are the key properties of 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 57057451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).