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

C11H16O3 — CID 22461333

IUPAC1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1=CC(OC)C(O)(OC)C=C1
InChIInChI=1S/C11H16O3/c1-4-5-9-6-7-11(12,14-3)10(8-9)13-2/h4,6-8,10,12H,1,5H2,2-3H3
InChIKeyRFRRZTJURVDMNN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds4

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

1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol (PubChem CID 22461333) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
PubChem CID22461333
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1=CC(OC)C(O)(OC)C=C1
InChIInChI=1S/C11H16O3/c1-4-5-9-6-7-11(12,14-3)10(8-9)13-2/h4,6-8,10,12H,1,5H2,2-3H3
InChIKeyRFRRZTJURVDMNN-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol (CID 22461333) is 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol is C=CCC1=CC(OC)C(O)(OC)C=C1.
What is the InChIKey of 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The InChIKey is RFRRZTJURVDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-9-6-7-11(12,14-3)10(8-9)13-2/h4,6-8,10,12H,1,5H2,2-3H3.
What are the key properties of 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22461333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).