1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile

C15H19NO2 — CID 79130468

IUPAC1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile
SMILESCOc1ccccc1C(C)(O)C1(C#N)CCCC1
InChIInChI=1S/C15H19NO2/c1-14(17,15(11-16)9-5-6-10-15)12-7-3-4-8-13(12)18-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyMTZPFOYLBCMPIM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.99
Rot. Bonds3

About 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile

1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79130468) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79130468
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile
SMILESCOc1ccccc1C(C)(O)C1(C#N)CCCC1
InChIInChI=1S/C15H19NO2/c1-14(17,15(11-16)9-5-6-10-15)12-7-3-4-8-13(12)18-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3
InChIKeyMTZPFOYLBCMPIM-UHFFFAOYSA-N
XLogP2.99
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluorophenyl)-1-hydroxyethyl]cyclooctane-1-carbonitrile
CID 80603670
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1-[1-hydroxy-1-(3-methylphenyl)ethyl]cyclooctane-1-carbonitrile
CID 80603503
3-hydroxy-3-(2-methoxyphenyl)-2-methylbutanenitrile
CID 79130467
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
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3-(1-hydroxy-1-phenylethyl)oxane-3-carbonitrile
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2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
CID 79130749
1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile
CID 79130076
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile (CID 79130468) is 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile is COc1ccccc1C(C)(O)C1(C#N)CCCC1.
What is the InChIKey of 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is MTZPFOYLBCMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(17,15(11-16)9-5-6-10-15)12-7-3-4-8-13(12)18-2/h3-4,7-8,17H,5-6,9-10H2,1-2H3.
What are the key properties of 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile?
1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 245.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).