2-cyclopentyloxyethylbenzene

C13H18O — CID 15875394

IUPAC2-cyclopentyloxyethylbenzene
SMILESc1ccc(CCOC2CCCC2)cc1
InChIInChI=1S/C13H18O/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyWVOZHIRBKFYTDG-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds4

About 2-cyclopentyloxyethylbenzene

2-cyclopentyloxyethylbenzene (PubChem CID 15875394) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-cyclopentyloxyethylbenzene.

Molecular Properties

Compound Name2-cyclopentyloxyethylbenzene
PubChem CID15875394
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-cyclopentyloxyethylbenzene
SMILESc1ccc(CCOC2CCCC2)cc1
InChIInChI=1S/C13H18O/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2
InChIKeyWVOZHIRBKFYTDG-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxyethylbenzene?
The IUPAC name of 2-cyclopentyloxyethylbenzene (CID 15875394) is 2-cyclopentyloxyethylbenzene.
What is the SMILES notation for 2-cyclopentyloxyethylbenzene?
The canonical SMILES for 2-cyclopentyloxyethylbenzene is c1ccc(CCOC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyloxyethylbenzene?
The InChIKey is WVOZHIRBKFYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-6-12(7-3-1)10-11-14-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of 2-cyclopentyloxyethylbenzene?
2-cyclopentyloxyethylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyethylbenzene is sourced from PubChem (CID 15875394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).