2-(cyclopropylmethoxy)ethoxymethylbenzene

C13H18O2 — CID 54083813

IUPAC2-(cyclopropylmethoxy)ethoxymethylbenzene
SMILESc1ccc(COCCOCC2CC2)cc1
InChIInChI=1S/C13H18O2/c1-2-4-12(5-3-1)10-14-8-9-15-11-13-6-7-13/h1-5,13H,6-11H2
InChIKeyIPUVNVXQDLCYID-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.63
Rot. Bonds7

About 2-(cyclopropylmethoxy)ethoxymethylbenzene

2-(cyclopropylmethoxy)ethoxymethylbenzene (PubChem CID 54083813) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)ethoxymethylbenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)ethoxymethylbenzene
PubChem CID54083813
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(cyclopropylmethoxy)ethoxymethylbenzene
SMILESc1ccc(COCCOCC2CC2)cc1
InChIInChI=1S/C13H18O2/c1-2-4-12(5-3-1)10-14-8-9-15-11-13-6-7-13/h1-5,13H,6-11H2
InChIKeyIPUVNVXQDLCYID-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
CID 11514697
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)ethoxymethylbenzene?
The IUPAC name of 2-(cyclopropylmethoxy)ethoxymethylbenzene (CID 54083813) is 2-(cyclopropylmethoxy)ethoxymethylbenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)ethoxymethylbenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)ethoxymethylbenzene is c1ccc(COCCOCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)ethoxymethylbenzene?
The InChIKey is IPUVNVXQDLCYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-4-12(5-3-1)10-14-8-9-15-11-13-6-7-13/h1-5,13H,6-11H2.
What are the key properties of 2-(cyclopropylmethoxy)ethoxymethylbenzene?
2-(cyclopropylmethoxy)ethoxymethylbenzene has a molecular weight of 206.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)ethoxymethylbenzene is sourced from PubChem (CID 54083813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).