2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol

C13H20O2 — CID 79568334

IUPAC2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-15-9-13(4,14)12-7-6-10(2)11(3)8-12/h6-8,14H,5,9H2,1-4H3
InChIKeyWODPKGOUOGWNAB-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.55
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol

2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol (PubChem CID 79568334) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol
PubChem CID79568334
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol
SMILESCCOCC(C)(O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20O2/c1-5-15-9-13(4,14)12-7-6-10(2)11(3)8-12/h6-8,14H,5,9H2,1-4H3
InChIKeyWODPKGOUOGWNAB-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-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-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14438707
1-(4-tert-butylphenyl)-3-ethoxy-2-methylpropan-2-ol
CID 113493295
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol (CID 79568334) is 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol is CCOCC(C)(O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol?
The InChIKey is WODPKGOUOGWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-15-9-13(4,14)12-7-6-10(2)11(3)8-12/h6-8,14H,5,9H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol?
2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 79568334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).