3-(3-cyclopentyloxypropoxy)benzonitrile

C15H19NO2 — CID 43289282

IUPAC3-(3-cyclopentyloxypropoxy)benzonitrile
SMILESN#Cc1cccc(OCCCOC2CCCC2)c1
InChIInChI=1S/C15H19NO2/c16-12-13-5-3-8-15(11-13)18-10-4-9-17-14-6-1-2-7-14/h3,5,8,11,14H,1-2,4,6-7,9-10H2
InChIKeyHCXJTBBVCAHVPP-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.29
Rot. Bonds6

About 3-(3-cyclopentyloxypropoxy)benzonitrile

3-(3-cyclopentyloxypropoxy)benzonitrile (PubChem CID 43289282) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(3-cyclopentyloxypropoxy)benzonitrile.

Molecular Properties

Compound Name3-(3-cyclopentyloxypropoxy)benzonitrile
PubChem CID43289282
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(3-cyclopentyloxypropoxy)benzonitrile
SMILESN#Cc1cccc(OCCCOC2CCCC2)c1
InChIInChI=1S/C15H19NO2/c16-12-13-5-3-8-15(11-13)18-10-4-9-17-14-6-1-2-7-14/h3,5,8,11,14H,1-2,4,6-7,9-10H2
InChIKeyHCXJTBBVCAHVPP-UHFFFAOYSA-N
XLogP3.29
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cycloheptyloxypropoxy)benzonitrile
CID 61070271
3-[2-(4-methylcyclohexyl)oxyethoxy]benzonitrile
CID 43289475
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[3-[cyclobutyl(2-hydroxyethyl)amino]propoxy]benzonitrile
CID 102676503
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
3-[3-(cyclopentyloxyamino)-2-hydroxypropoxy]benzonitrile
CID 83229717
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
3-[3-(azocan-1-yl)propoxy]benzonitrile
CID 43288881
3-[3-(3,4-dihydroxypyrrolidin-1-yl)propoxy]benzonitrile
CID 106669453

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxypropoxy)benzonitrile?
The IUPAC name of 3-(3-cyclopentyloxypropoxy)benzonitrile (CID 43289282) is 3-(3-cyclopentyloxypropoxy)benzonitrile.
What is the SMILES notation for 3-(3-cyclopentyloxypropoxy)benzonitrile?
The canonical SMILES for 3-(3-cyclopentyloxypropoxy)benzonitrile is N#Cc1cccc(OCCCOC2CCCC2)c1.
What is the InChIKey of 3-(3-cyclopentyloxypropoxy)benzonitrile?
The InChIKey is HCXJTBBVCAHVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-12-13-5-3-8-15(11-13)18-10-4-9-17-14-6-1-2-7-14/h3,5,8,11,14H,1-2,4,6-7,9-10H2.
What are the key properties of 3-(3-cyclopentyloxypropoxy)benzonitrile?
3-(3-cyclopentyloxypropoxy)benzonitrile has a molecular weight of 245.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxypropoxy)benzonitrile is sourced from PubChem (CID 43289282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).