3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile

C13H15NO2 — CID 107659871

IUPAC3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC1CCCC1O
InChIInChI=1S/C13H15NO2/c1-9-5-6-10(8-14)7-13(9)16-12-4-2-3-11(12)15/h5-7,11-12,15H,2-4H2,1H3
InChIKeyRGUAYAIPFKFNQQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.16
Rot. Bonds2

About 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile

3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile (PubChem CID 107659871) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
PubChem CID107659871
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC1CCCC1O
InChIInChI=1S/C13H15NO2/c1-9-5-6-10(8-14)7-13(9)16-12-4-2-3-11(12)15/h5-7,11-12,15H,2-4H2,1H3
InChIKeyRGUAYAIPFKFNQQ-UHFFFAOYSA-N
XLogP2.16
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
4-[(1R,2R)-2-hydroxycyclopentyl]oxy-3-nitrobenzonitrile
CID 102735480
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
trans-(1S,2S)-2-(2,3,6-trimethylphenoxy)cyclopentan-1-ol
CID 102735335
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
4-methyl-3-(2-oxoazepan-3-yl)oxybenzonitrile
CID 107663116
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-methyl-3-(oxiran-2-ylmethoxy)benzonitrile
CID 107657547
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile (CID 107659871) is 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile is Cc1ccc(C#N)cc1OC1CCCC1O.
What is the InChIKey of 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile?
The InChIKey is RGUAYAIPFKFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-5-6-10(8-14)7-13(9)16-12-4-2-3-11(12)15/h5-7,11-12,15H,2-4H2,1H3.
What are the key properties of 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile?
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107659871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).