3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol

C13H20O3 — CID 117322230

IUPAC3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
SMILESCCc1c(OC)ccc(OC)c1CCCO
InChIInChI=1S/C13H20O3/c1-4-10-11(6-5-9-14)13(16-3)8-7-12(10)15-2/h7-8,14H,4-6,9H2,1-3H3
InChIKeyIAZHNZKCTMRLDA-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.19
Rot. Bonds6

About 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol

3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol (PubChem CID 117322230) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
PubChem CID117322230
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
SMILESCCc1c(OC)ccc(OC)c1CCCO
InChIInChI=1S/C13H20O3/c1-4-10-11(6-5-9-14)13(16-3)8-7-12(10)15-2/h7-8,14H,4-6,9H2,1-3H3
InChIKeyIAZHNZKCTMRLDA-UHFFFAOYSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethyl-3,6-dimethoxyphenyl)propan-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

3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
CID 117397884
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
(2,3-diethyl-4-methoxyphenoxy)boronic acid
CID 54089245
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol (CID 117322230) is 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol is CCc1c(OC)ccc(OC)c1CCCO.
What is the InChIKey of 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol?
The InChIKey is IAZHNZKCTMRLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-10-11(6-5-9-14)13(16-3)8-7-12(10)15-2/h7-8,14H,4-6,9H2,1-3H3.
What are the key properties of 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol?
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117322230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).