[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol

C9H15NO2 — CID 67602541

IUPAC[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol
SMILESCNC1=CC(CO)=CCC1OC
InChIInChI=1S/C9H15NO2/c1-10-8-5-7(6-11)3-4-9(8)12-2/h3,5,9-11H,4,6H2,1-2H3
InChIKeyLIUBULNOBRCWAF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.43
Rot. Bonds3

About [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol

[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 67602541) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID67602541
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol
SMILESCNC1=CC(CO)=CCC1OC
InChIInChI=1S/C9H15NO2/c1-10-8-5-7(6-11)3-4-9(8)12-2/h3,5,9-11H,4,6H2,1-2H3
InChIKeyLIUBULNOBRCWAF-UHFFFAOYSA-N
XLogP0.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol (CID 67602541) is [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol is CNC1=CC(CO)=CCC1OC.
What is the InChIKey of [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is LIUBULNOBRCWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-8-5-7(6-11)3-4-9(8)12-2/h3,5,9-11H,4,6H2,1-2H3.
What are the key properties of [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol?
[4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 169.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5-(methylamino)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 67602541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).