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

C11H16O3 — CID 23451416

IUPAC2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1=CC(OC)C(O)C(OC)=C1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,9,11-12H,1,5H2,2-3H3
InChIKeyBDUVBEOCIWKETL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds4

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

2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol (PubChem CID 23451416) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
PubChem CID23451416
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
SMILESC=CCC1=CC(OC)C(O)C(OC)=C1
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,9,11-12H,1,5H2,2-3H3
InChIKeyBDUVBEOCIWKETL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-2H-pyran-2-ol
CID 44566908
6-Methoxy-1-methyl-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 67546070
Aspergone F
CID 156581213
(2S,3R)-4-methoxyocta-4,6-diene-2,3-diol
CID 162945692
(2S,3R,4E,6E)-4-methoxyocta-4,6-diene-2,3-diol
CID 163195656
[2H]-Guajacol
CID 12331600
6-Methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 20975719
2-Methoxy-(Eugenol)
CID 22461333
Dihydro methyl eugenol
CID 67546071
3,4-Dimethoxy-4-hydroxybenzyl alcohol
CID 70626755
Dihydrodehydroconiferyl alcohol
CID 129737712
(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
CID 163678798

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol (CID 23451416) is 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol is C=CCC1=CC(OC)C(O)C(OC)=C1.
What is the InChIKey of 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
The InChIKey is BDUVBEOCIWKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,9,11-12H,1,5H2,2-3H3.
What are the key properties of 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol?
2,6-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 2,6-dimethoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23451416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).