4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile

C18H25NO — CID 10778537

IUPAC4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile
SMILESCC(C)(CC(C#N)C(O)c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO/c1-18(2,16-10-6-7-11-16)12-15(13-19)17(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,20H,6-7,10-12H2,1-2H3
InChIKeyMOFCWVLWIYUWCH-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.47
Rot. Bonds5

About 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile

4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile (PubChem CID 10778537) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile.

Molecular Properties

Compound Name4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile
PubChem CID10778537
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile
SMILESCC(C)(CC(C#N)C(O)c1ccccc1)C1CCCC1
InChIInChI=1S/C18H25NO/c1-18(2,16-10-6-7-11-16)12-15(13-19)17(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,20H,6-7,10-12H2,1-2H3
InChIKeyMOFCWVLWIYUWCH-UHFFFAOYSA-N
XLogP4.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
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(2S,3S)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173527
(2R)-2-cyclohexyl-2-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetonitrile
CID 135004233
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-cyclohexyloxy-2-phenylacetonitrile
CID 101349721
2-cyclohexyl-2-phenylmethoxypropanenitrile
CID 154277038
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99704166
2-[hydroxy-(4-methylphenyl)methyl]butanenitrile
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2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile?
The IUPAC name of 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile (CID 10778537) is 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile.
What is the SMILES notation for 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile?
The canonical SMILES for 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile is CC(C)(CC(C#N)C(O)c1ccccc1)C1CCCC1.
What is the InChIKey of 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile?
The InChIKey is MOFCWVLWIYUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2,16-10-6-7-11-16)12-15(13-19)17(20)14-8-4-3-5-9-14/h3-5,8-9,15-17,20H,6-7,10-12H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile?
4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile has a molecular weight of 271.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile is sourced from PubChem (CID 10778537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).