2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol

C9H14O2 — CID 142888173

IUPAC2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
SMILESCCOC1=C(O)C=CCC1C
InChIInChI=1S/C9H14O2/c1-3-11-9-7(2)5-4-6-8(9)10/h4,6-7,10H,3,5H2,1-2H3
InChIKeyKDDFRHLDCRCEBR-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.39
Rot. Bonds2

About 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol

2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 142888173) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID142888173
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
SMILESCCOC1=C(O)C=CCC1C
InChIInChI=1S/C9H14O2/c1-3-11-9-7(2)5-4-6-8(9)10/h4,6-7,10H,3,5H2,1-2H3
InChIKeyKDDFRHLDCRCEBR-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-3-methylcyclohexa-1,5-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

Related Compounds

N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
CID 134569543
5-ethoxy-4-hydroxy-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carbaldehyde
CID 141062124
ethyl (E)-3-(4-formyl-8-methyl-7,8-dihydronaphthalen-1-yl)prop-2-enoate
CID 163745546
1-ethoxy-4-(6-methylcyclohexa-1,3-dien-1-yl)benzene
CID 163557331
4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
CID 163953667
ethyl 6-methyl-2-prop-2-enoyloxycyclohexa-1,3-diene-1-carboxylate
CID 171541480
(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
CID 162785526
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)propan-2-yl hypofluorite;ethane
CID 155717721
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
3,4,5-triethoxyphenol
CID 19754898

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol (CID 142888173) is 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol is CCOC1=C(O)C=CCC1C.
What is the InChIKey of 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is KDDFRHLDCRCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9-7(2)5-4-6-8(9)10/h4,6-7,10H,3,5H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol?
2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 154.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 142888173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).