2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol

C10H14O2 — CID 19350674

IUPAC2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol
SMILESC=CCC1=CC(OC)=C(O)CC1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,7,11H,1,4-6H2,2H3
InChIKeyYLUWMIFDTHOYNP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.70
Rot. Bonds3

About 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol

2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol (PubChem CID 19350674) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol
PubChem CID19350674
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol
SMILESC=CCC1=CC(OC)=C(O)CC1
InChIInChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,7,11H,1,4-6H2,2H3
InChIKeyYLUWMIFDTHOYNP-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol (CID 19350674) is 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol is C=CCC1=CC(OC)=C(O)CC1.
What is the InChIKey of 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol?
The InChIKey is YLUWMIFDTHOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol?
2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol has a molecular weight of 166.22 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-2-enylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 19350674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).