2-ethoxy-4-methyl-1-(2-methylpropyl)benzene

C13H20O — CID 118359593

IUPAC2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
SMILESCCOc1cc(C)ccc1CC(C)C
InChIInChI=1S/C13H20O/c1-5-14-13-9-11(4)6-7-12(13)8-10(2)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyAIBWVLGFSMXZMY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.59
Rot. Bonds4

About 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene

2-ethoxy-4-methyl-1-(2-methylpropyl)benzene (PubChem CID 118359593) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
PubChem CID118359593
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
SMILESCCOc1cc(C)ccc1CC(C)C
InChIInChI=1S/C13H20O/c1-5-14-13-9-11(4)6-7-12(13)8-10(2)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyAIBWVLGFSMXZMY-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene 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

1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-ethoxy-4-methyl-2-(2-methylbut-3-ynyl)benzene
CID 83933680
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene?
The IUPAC name of 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene (CID 118359593) is 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene.
What is the SMILES notation for 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene?
The canonical SMILES for 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene is CCOc1cc(C)ccc1CC(C)C.
What is the InChIKey of 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene?
The InChIKey is AIBWVLGFSMXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-14-13-9-11(4)6-7-12(13)8-10(2)3/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene?
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-1-(2-methylpropyl)benzene is sourced from PubChem (CID 118359593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).