3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene

C15H22O2 — CID 54112131

IUPAC3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
SMILESc1ccc(CCCOCCOCC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15H,4,7-13H2
InChIKeyLSQDZEOFLQBQTP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.06
Rot. Bonds9

About 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene

3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene (PubChem CID 54112131) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
PubChem CID54112131
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
SMILESc1ccc(CCCOCCOCC2CC2)cc1
InChIInChI=1S/C15H22O2/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15H,4,7-13H2
InChIKeyLSQDZEOFLQBQTP-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene 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-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
CID 11514697
8-(8-phenyloctoxy)octylbenzene
CID 56628536
(3R)-3-(3-phenylpropoxymethyl)pyrrolidine-1-carboxylic acid
CID 68612024
4-cyclopropylbutylbenzene
CID 10261592
3-decoxypropylbenzene
CID 150065328
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
5-cyclopropylpentylbenzene
CID 91089836
2-(3-phenylpropoxymethyl)-2,3-dihydro-1-benzothiophene
CID 79403171
3-[3-(piperidin-4-ylmethoxy)propyl]pyridine
CID 44784866

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene (CID 54112131) is 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene is c1ccc(CCCOCCOCC2CC2)cc1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene?
The InChIKey is LSQDZEOFLQBQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-5-14(6-3-1)7-4-10-16-11-12-17-13-15-8-9-15/h1-3,5-6,15H,4,7-13H2.
What are the key properties of 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene?
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene is sourced from PubChem (CID 54112131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).