3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile

C17H23NO — CID 79130907

IUPAC3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H23NO/c1-4-14-9-10-17(11-14,12-18)16(3,19)15-7-5-13(2)6-8-15/h5-8,14,19H,4,9-11H2,1-3H3
InChIKeyIJXNJLDZDZIFGS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds3

About 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile

3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79130907) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79130907
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C(C)(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H23NO/c1-4-14-9-10-17(11-14,12-18)16(3,19)15-7-5-13(2)6-8-15/h5-8,14,19H,4,9-11H2,1-3H3
InChIKeyIJXNJLDZDZIFGS-UHFFFAOYSA-N
XLogP3.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclohexane-1-carbonitrile
CID 79130750
1-[1-(3-bromophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79130290
1-[1-(2-chlorophenyl)-1-hydroxyethyl]-3-ethylcyclopentane-1-carbonitrile
CID 79129155
3-ethyl-1-[1-(2-fluorophenyl)-1-hydroxyethyl]cyclopentane-1-carbonitrile
CID 79130913
1-(1-cyclohexyl-1-hydroxyethyl)-3-ethylcyclopentane-1-carbonitrile
CID 114795076
1-[1-(3-chlorophenyl)-1-hydroxyethyl]-4-ethylcyclohexane-1-carbonitrile
CID 79130919
3-ethyl-1-(2-hydroxybutan-2-yl)cyclohexane-1-carbonitrile
CID 79131191
1-[1-(4-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexane-1-carbonitrile
CID 79130608
4-ethyl-1-(1-hydroxy-2-methoxy-1-phenylethyl)cyclohexane-1-carbonitrile
CID 103466436
1-[1-(4-chlorophenyl)-1-hydroxyethyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79115763
1-[(1R)-1-hydroxy-1-(4-methylphenyl)prop-2-ynyl]cyclopropane-1-carbonitrile
CID 125472369
4-ethyl-1-[hydroxy-(4-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 79137420

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile (CID 79130907) is 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C(C)(O)c2ccc(C)cc2)C1.
What is the InChIKey of 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is IJXNJLDZDZIFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-9-10-17(11-14,12-18)16(3,19)15-7-5-13(2)6-8-15/h5-8,14,19H,4,9-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile?
3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-hydroxy-1-(4-methylphenyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79130907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).