3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol

C13H20O3 — CID 117322234

IUPAC3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)c(CCCO)c(OC)c1C
InChIInChI=1S/C13H20O3/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h8,14H,5-7H2,1-4H3
InChIKeyCEPNQSKTDKSCEF-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.25
Rot. Bonds5

About 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol

3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol (PubChem CID 117322234) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
PubChem CID117322234
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)c(CCCO)c(OC)c1C
InChIInChI=1S/C13H20O3/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h8,14H,5-7H2,1-4H3
InChIKeyCEPNQSKTDKSCEF-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,4-dimethoxy-3,6-dimethylphenyl)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

(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol (CID 117322234) is 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol is COc1cc(C)c(CCCO)c(OC)c1C.
What is the InChIKey of 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol?
The InChIKey is CEPNQSKTDKSCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-8-12(15-3)10(2)13(16-4)11(9)6-5-7-14/h8,14H,5-7H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol?
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 117322234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).