2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

C11H16O3 — CID 91220406

IUPAC2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CC(OC)C=C(OC)C1O
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)7-10(14-3)11(8)12/h4,6-7,9,11-12H,1,5H2,2-3H3
InChIKeyRGTKCLPLTWJIEV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds4

About 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol

2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (PubChem CID 91220406) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
PubChem CID91220406
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol
SMILESC=CCC1=CC(OC)C=C(OC)C1O
InChIInChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)7-10(14-3)11(8)12/h4,6-7,9,11-12H,1,5H2,2-3H3
InChIKeyRGTKCLPLTWJIEV-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

Ubiquinol 8
CID 22833558
2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
CID 53481017
2-((2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-diol
CID 6504740
2-Methoxy-3-cyclohexen-1-ol
CID 13447771
6-Methoxy-4-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 20975719
(Z,3E)-1-ethoxy-3-ethylidene-7-fluorohept-5-en-2-ol
CID 137453472
(2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
CID 59899354
2-Ethoxy-4,5-dimethylcyclohexa-2,4-dien-1-ol
CID 141889934
(1R,4S)-2,3-dimethoxy-5-methyl-6-[(2E,6E,10Z,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-diol
CID 155295712
6-Ethyl-2,6-decadiene-4,5-diol
CID 559110
(E,2S)-2-pentan-3-yloxyhept-3-ene-1,7-diol
CID 42612527
(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
CID 45094981

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol (CID 91220406) is 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is C=CCC1=CC(OC)C=C(OC)C1O.
What is the InChIKey of 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
The InChIKey is RGTKCLPLTWJIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-5-8-6-9(13-2)7-10(14-3)11(8)12/h4,6-7,9,11-12H,1,5H2,2-3H3.
What are the key properties of 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol?
2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-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 2,4-dimethoxy-6-prop-2-enylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 91220406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).