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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Related Compounds

2-fluoro-4-[(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-yl]cyclohexa-1,3-dien-1-ol
CID 144878693
(3Z)-5-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-2-ol
CID 144902473
(1R)-3-(2-methoxyethenyl)cyclohex-2-en-1-ol
CID 91034166
2-Methoxy-4-methylcyclohexa-1,3-dien-1-ol
CID 19350668
6-(2H-pyran-4-yl)hexan-1-ol
CID 19797287
3-butyl-2H-pyran
CID 20253311
(3E)-2-methoxy-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
CID 21351131
7-Methyl-5,6-dihydrocyclopenta[b]pyran
CID 57482098
2-(2-Methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 66787530
2-(3-Methoxycyclohexa-1,3-dien-1-yl)-1,4-dioxine
CID 67023118
5-Cyclopropyl-2-methoxycyclohexa-1,3-dien-1-ol
CID 68251926
2-(1,4-Dioxin-2-yl)-6-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 68413111

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).