2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile

C16H21NO2 — CID 103158515

IUPAC2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c17-10-9-13-5-7-16(8-6-13)19-12-15(18)11-14-3-1-2-4-14/h5-8,14-15,18H,1-4,9,11-12H2
InChIKeyUJPDDAQDZPTEBK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile

2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile (PubChem CID 103158515) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
PubChem CID103158515
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCC(O)CC2CCCC2)cc1
InChIInChI=1S/C16H21NO2/c17-10-9-13-5-7-16(8-6-13)19-12-15(18)11-14-3-1-2-4-14/h5-8,14-15,18H,1-4,9,11-12H2
InChIKeyUJPDDAQDZPTEBK-UHFFFAOYSA-N
XLogP3.07
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
2-[4-(2-hydroxybutoxy)phenyl]acetonitrile
CID 60884579
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-cyclopentyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 103160587
2-[4-(2-hydroxy-2-phenylethoxy)phenyl]acetonitrile
CID 60730786
2-[4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]acetonitrile
CID 55382085
2-[4-[2-hydroxy-3-[(3-oxo-1-benzofuran-6-yl)oxy]propoxy]phenyl]acetonitrile
CID 167961672
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
2-[4-[3-(4-fluoro-3-methylphenoxy)-2-hydroxypropoxy]phenyl]acetonitrile
CID 109415991

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile (CID 103158515) is 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile is N#CCc1ccc(OCC(O)CC2CCCC2)cc1.
What is the InChIKey of 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile?
The InChIKey is UJPDDAQDZPTEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c17-10-9-13-5-7-16(8-6-13)19-12-15(18)11-14-3-1-2-4-14/h5-8,14-15,18H,1-4,9,11-12H2.
What are the key properties of 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile?
2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetonitrile is sourced from PubChem (CID 103158515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).