1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol

C9H14O2 — CID 70477137

IUPAC1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1OC
InChIInChI=1S/C9H14O2/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8,10H,3H2,1-2H3
InChIKeyJERRISPMQOTPKR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds2

About 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol

1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 70477137) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID70477137
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCCC1(O)C=CC=CC1OC
InChIInChI=1S/C9H14O2/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8,10H,3H2,1-2H3
InChIKeyJERRISPMQOTPKR-UHFFFAOYSA-N
XLogP1.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol 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 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol (CID 70477137) is 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol is CCC1(O)C=CC=CC1OC.
What is the InChIKey of 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is JERRISPMQOTPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8,10H,3H2,1-2H3.
What are the key properties of 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol?
1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70477137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).