1-(cyclopentylmethoxy)ethylbenzene

C14H20O — CID 90167891

IUPAC1-(cyclopentylmethoxy)ethylbenzene
SMILESCC(OCC1CCCC1)c1ccccc1
InChIInChI=1S/C14H20O/c1-12(14-9-3-2-4-10-14)15-11-13-7-5-6-8-13/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyNCOUCPRWZDUUFD-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.95
Rot. Bonds4

About 1-(cyclopentylmethoxy)ethylbenzene

1-(cyclopentylmethoxy)ethylbenzene (PubChem CID 90167891) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(cyclopentylmethoxy)ethylbenzene.

Molecular Properties

Compound Name1-(cyclopentylmethoxy)ethylbenzene
PubChem CID90167891
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(cyclopentylmethoxy)ethylbenzene
SMILESCC(OCC1CCCC1)c1ccccc1
InChIInChI=1S/C14H20O/c1-12(14-9-3-2-4-10-14)15-11-13-7-5-6-8-13/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyNCOUCPRWZDUUFD-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(cyclohexylmethoxy)ethyl]aniline
CID 57106208
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
4-[1-(cyclohexylmethoxy)ethyl]-2-methylpyridine
CID 21279082
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
CID 71242539
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035
1-(2-bromoethoxy)ethylbenzene
CID 24688557

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethoxy)ethylbenzene?
The IUPAC name of 1-(cyclopentylmethoxy)ethylbenzene (CID 90167891) is 1-(cyclopentylmethoxy)ethylbenzene.
What is the SMILES notation for 1-(cyclopentylmethoxy)ethylbenzene?
The canonical SMILES for 1-(cyclopentylmethoxy)ethylbenzene is CC(OCC1CCCC1)c1ccccc1.
What is the InChIKey of 1-(cyclopentylmethoxy)ethylbenzene?
The InChIKey is NCOUCPRWZDUUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12(14-9-3-2-4-10-14)15-11-13-7-5-6-8-13/h2-4,9-10,12-13H,5-8,11H2,1H3.
What are the key properties of 1-(cyclopentylmethoxy)ethylbenzene?
1-(cyclopentylmethoxy)ethylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethoxy)ethylbenzene is sourced from PubChem (CID 90167891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).