1,2-dimethyl-4-(2-propoxyethoxy)benzene

C13H20O2 — CID 155584258

IUPAC1,2-dimethyl-4-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1ccc(C)c(C)c1
InChIInChI=1S/C13H20O2/c1-4-7-14-8-9-15-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3
InChIKeyOTZCTBWCTKXOSO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.11
Rot. Bonds6

About 1,2-dimethyl-4-(2-propoxyethoxy)benzene

1,2-dimethyl-4-(2-propoxyethoxy)benzene (PubChem CID 155584258) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-propoxyethoxy)benzene
PubChem CID155584258
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1,2-dimethyl-4-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1ccc(C)c(C)c1
InChIInChI=1S/C13H20O2/c1-4-7-14-8-9-15-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3
InChIKeyOTZCTBWCTKXOSO-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-4-(2-propoxyethoxy)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-dimethyl-4-propoxybenzene
CID 23549082
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
CID 123147082
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-[2-(6-bromohexoxy)ethoxy]-1,2-dimethylbenzene
CID 23045318
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
2-methyl-1-(2-methylbutan-2-yl)-4-[2-[2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 123715376
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
CID 83134041

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-propoxyethoxy)benzene?
The IUPAC name of 1,2-dimethyl-4-(2-propoxyethoxy)benzene (CID 155584258) is 1,2-dimethyl-4-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(2-propoxyethoxy)benzene?
The canonical SMILES for 1,2-dimethyl-4-(2-propoxyethoxy)benzene is CCCOCCOc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(2-propoxyethoxy)benzene?
The InChIKey is OTZCTBWCTKXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-7-14-8-9-15-13-6-5-11(2)12(3)10-13/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(2-propoxyethoxy)benzene?
1,2-dimethyl-4-(2-propoxyethoxy)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-propoxyethoxy)benzene is sourced from PubChem (CID 155584258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).