2-(cyclopentylmethoxy)-5-methylbenzonitrile

C14H17NO — CID 107928225

IUPAC2-(cyclopentylmethoxy)-5-methylbenzonitrile
SMILESCc1ccc(OCC2CCCC2)c(C#N)c1
InChIInChI=1S/C14H17NO/c1-11-6-7-14(13(8-11)9-15)16-10-12-4-2-3-5-12/h6-8,12H,2-5,10H2,1H3
InChIKeyHETWCSDUCOSBPD-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.44
Rot. Bonds3

About 2-(cyclopentylmethoxy)-5-methylbenzonitrile

2-(cyclopentylmethoxy)-5-methylbenzonitrile (PubChem CID 107928225) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-5-methylbenzonitrile
PubChem CID107928225
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(cyclopentylmethoxy)-5-methylbenzonitrile
SMILESCc1ccc(OCC2CCCC2)c(C#N)c1
InChIInChI=1S/C14H17NO/c1-11-6-7-14(13(8-11)9-15)16-10-12-4-2-3-5-12/h6-8,12H,2-5,10H2,1H3
InChIKeyHETWCSDUCOSBPD-UHFFFAOYSA-N
XLogP3.44
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-5-(5-methylpyrimidin-2-yl)benzonitrile
CID 173349738
4-[2-(cyclopentylmethoxy)-5-methylphenyl]but-3-yn-1-ol
CID 61342842
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
2-(3-chloroprop-1-ynyl)-1-(cyclopropylmethoxy)-4-methylbenzene
CID 60802185
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
2-(cyclohexylmethylamino)-4-methylbenzonitrile
CID 62308973
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
2-(cyclopentylmethylsulfanyl)-5-methylbenzonitrile
CID 107930985
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
3-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 62384806
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
2-[cyclohexylmethyl(methyl)amino]-4-methylbenzonitrile
CID 63512288

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(cyclopentylmethoxy)-5-methylbenzonitrile (CID 107928225) is 2-(cyclopentylmethoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(cyclopentylmethoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(cyclopentylmethoxy)-5-methylbenzonitrile is Cc1ccc(OCC2CCCC2)c(C#N)c1.
What is the InChIKey of 2-(cyclopentylmethoxy)-5-methylbenzonitrile?
The InChIKey is HETWCSDUCOSBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-6-7-14(13(8-11)9-15)16-10-12-4-2-3-5-12/h6-8,12H,2-5,10H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-5-methylbenzonitrile?
2-(cyclopentylmethoxy)-5-methylbenzonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).