2-cyclobutyloxyethylbenzene

C12H16O — CID 54003575

IUPAC2-cyclobutyloxyethylbenzene
SMILESc1ccc(CCOC2CCC2)cc1
InChIInChI=1S/C12H16O/c1-2-5-11(6-3-1)9-10-13-12-7-4-8-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRSLWSIVGIRERDJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.80
Rot. Bonds4

About 2-cyclobutyloxyethylbenzene

2-cyclobutyloxyethylbenzene (PubChem CID 54003575) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-cyclobutyloxyethylbenzene.

Molecular Properties

Compound Name2-cyclobutyloxyethylbenzene
PubChem CID54003575
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-cyclobutyloxyethylbenzene
SMILESc1ccc(CCOC2CCC2)cc1
InChIInChI=1S/C12H16O/c1-2-5-11(6-3-1)9-10-13-12-7-4-8-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRSLWSIVGIRERDJ-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
cis-methyl (1R,3S)-3-(2-phenylethoxy)cyclohexane-1-carboxylate
CID 129389048
2-(2-phenylethoxy)cyclopentan-1-amine
CID 43127941
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
azane;cyclopentyloxymethylbenzene
CID 69411306
di(cyclobutyloxy)-(2-phenylethyl)phosphane
CID 141159211
2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133371798
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
CID 20724099
(2S)-2-[4-(2-phenylethoxy)piperidin-1-yl]butanoic acid
CID 124623051
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
3-cyclobutyloxybutylbenzene
CID 177473923

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxyethylbenzene?
The IUPAC name of 2-cyclobutyloxyethylbenzene (CID 54003575) is 2-cyclobutyloxyethylbenzene.
What is the SMILES notation for 2-cyclobutyloxyethylbenzene?
The canonical SMILES for 2-cyclobutyloxyethylbenzene is c1ccc(CCOC2CCC2)cc1.
What is the InChIKey of 2-cyclobutyloxyethylbenzene?
The InChIKey is RSLWSIVGIRERDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-5-11(6-3-1)9-10-13-12-7-4-8-12/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 2-cyclobutyloxyethylbenzene?
2-cyclobutyloxyethylbenzene has a molecular weight of 176.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxyethylbenzene is sourced from PubChem (CID 54003575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).