2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene

C13H20O2 — CID 112722468

IUPAC2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O2/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyZDSBBDBFXQFEJB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.14
Rot. Bonds5

About 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene

2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene (PubChem CID 112722468) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
PubChem CID112722468
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O2/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyZDSBBDBFXQFEJB-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene 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-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene (CID 112722468) is 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene is COCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene?
The InChIKey is ZDSBBDBFXQFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)12-6-5-11(3)13(9-12)15-8-7-14-4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene?
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 112722468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).