2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol

C9H14O2 — CID 141314987

IUPAC2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1(CCO)C=CC=CC1
InChIInChI=1S/C9H14O2/c1-11-9(7-8-10)5-3-2-4-6-9/h2-5,10H,6-8H2,1H3
InChIKeyAXFGBHQKCGIGMW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds3

About 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol

2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 141314987) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol
PubChem CID141314987
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol
SMILESCOC1(CCO)C=CC=CC1
InChIInChI=1S/C9H14O2/c1-11-9(7-8-10)5-3-2-4-6-9/h2-5,10H,6-8H2,1H3
InChIKeyAXFGBHQKCGIGMW-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol 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 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol (CID 141314987) is 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol is COC1(CCO)C=CC=CC1.
What is the InChIKey of 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is AXFGBHQKCGIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9(7-8-10)5-3-2-4-6-9/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol?
2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 141314987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).