1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol

C11H18O3 — CID 91211513

IUPAC1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC(C)C(C(C)O)C=C1OC
InChIInChI=1S/C11H18O3/c1-7-5-10(13-3)11(14-4)6-9(7)8(2)12/h5-9,12H,1-4H3
InChIKeyRFXAGGHJOFYCKY-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol

1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 91211513) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID91211513
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1=CC(C)C(C(C)O)C=C1OC
InChIInChI=1S/C11H18O3/c1-7-5-10(13-3)11(14-4)6-9(7)8(2)12/h5-9,12H,1-4H3
InChIKeyRFXAGGHJOFYCKY-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol (CID 91211513) is 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol is COC1=CC(C)C(C(C)O)C=C1OC.
What is the InChIKey of 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is RFXAGGHJOFYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-5-10(13-3)11(14-4)6-9(7)8(2)12/h5-9,12H,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol?
1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 198.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 91211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).