3-chloro-4-cyclopentyloxybenzonitrile

C12H12ClNO — CID 58439107

IUPAC3-chloro-4-cyclopentyloxybenzonitrile
SMILESN#Cc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H12ClNO/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyZQECSPNXWGJZNF-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.53
Rot. Bonds2

About 3-chloro-4-cyclopentyloxybenzonitrile

3-chloro-4-cyclopentyloxybenzonitrile (PubChem CID 58439107) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-4-cyclopentyloxybenzonitrile.

Molecular Properties

Compound Name3-chloro-4-cyclopentyloxybenzonitrile
PubChem CID58439107
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name3-chloro-4-cyclopentyloxybenzonitrile
SMILESN#Cc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C12H12ClNO/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10H,1-4H2
InChIKeyZQECSPNXWGJZNF-UHFFFAOYSA-N
XLogP3.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopentyloxybenzonitrile?
The IUPAC name of 3-chloro-4-cyclopentyloxybenzonitrile (CID 58439107) is 3-chloro-4-cyclopentyloxybenzonitrile.
What is the SMILES notation for 3-chloro-4-cyclopentyloxybenzonitrile?
The canonical SMILES for 3-chloro-4-cyclopentyloxybenzonitrile is N#Cc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclopentyloxybenzonitrile?
The InChIKey is ZQECSPNXWGJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-11-7-9(8-14)5-6-12(11)15-10-3-1-2-4-10/h5-7,10H,1-4H2.
What are the key properties of 3-chloro-4-cyclopentyloxybenzonitrile?
3-chloro-4-cyclopentyloxybenzonitrile has a molecular weight of 221.69 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopentyloxybenzonitrile is sourced from PubChem (CID 58439107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).