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

C10H14O2 — CID 66779236

IUPAC6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1(OC)C=CC=CC1O
InChIInChI=1S/C10H14O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3-6,8-9,11H,1,7H2,2H3
InChIKeyIBYGQFHIETYADF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.43
Rot. Bonds3

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

6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol (PubChem CID 66779236) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol
PubChem CID66779236
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1(OC)C=CC=CC1O
InChIInChI=1S/C10H14O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3-6,8-9,11H,1,7H2,2H3
InChIKeyIBYGQFHIETYADF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol (CID 66779236) is 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol is C=CCC1(OC)C=CC=CC1O.
What is the InChIKey of 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol?
The InChIKey is IBYGQFHIETYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-7-10(12-2)8-5-4-6-9(10)11/h3-6,8-9,11H,1,7H2,2H3.
What are the key properties of 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol?
6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66779236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).