1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile

C18H23NO2 — CID 154535456

IUPAC1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCCC2)cc1OC1CCCC1
InChIInChI=1S/C18H23NO2/c1-20-16-9-8-14(18(13-19)10-4-5-11-18)12-17(16)21-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11H2,1H3
InChIKeyJKQOLSOUTGNCRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile (PubChem CID 154535456) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
PubChem CID154535456
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCCC2)cc1OC1CCCC1
InChIInChI=1S/C18H23NO2/c1-20-16-9-8-14(18(13-19)10-4-5-11-18)12-17(16)21-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11H2,1H3
InChIKeyJKQOLSOUTGNCRU-UHFFFAOYSA-N
XLogP4.35
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile;pentanenitrile
CID 69463967
3-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylcyclohexane-1-carbonitrile
CID 57113965
4-(2-cyanoethyl)-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 173301626
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-methoxycyclohex-3-ene-1-carbonitrile
CID 15293880
1-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-1-hydroxyurea
CID 19973121
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 10156136
N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
CID 18663795
methyl 1-amino-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate
CID 56978038
cis-(3S,4R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-bis(2-oxoethyl)cyclopentane-1-carbonitrile
CID 11210884
methyl N-[(1R,3R)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 18663793
methyl N-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 23223660
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-4-oxocyclohexane-1-carbonitrile;N,N-dimethylmethanamine
CID 142862995

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile (CID 154535456) is 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile is COc1ccc(C2(C#N)CCCC2)cc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile?
The InChIKey is JKQOLSOUTGNCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-16-9-8-14(18(13-19)10-4-5-11-18)12-17(16)21-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11H2,1H3.
What are the key properties of 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile?
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 154535456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).