[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol

C11H19NO2 — CID 86738640

IUPAC[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCNCC1(C)C(OC)=CC=CC1CO
InChIInChI=1S/C11H19NO2/c1-11(8-12-2)9(7-13)5-4-6-10(11)14-3/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeyLAPMKAVIPRBJHI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds4

About [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol

[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 86738640) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID86738640
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCNCC1(C)C(OC)=CC=CC1CO
InChIInChI=1S/C11H19NO2/c1-11(8-12-2)9(7-13)5-4-6-10(11)14-3/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeyLAPMKAVIPRBJHI-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 86738640) is [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol is CNCC1(C)C(OC)=CC=CC1CO.
What is the InChIKey of [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is LAPMKAVIPRBJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(8-12-2)9(7-13)5-4-6-10(11)14-3/h4-6,9,12-13H,7-8H2,1-3H3.
What are the key properties of [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol?
[5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 197.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-6-methyl-6-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 86738640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).