1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile

C17H23NO2 — CID 79130076

IUPAC1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile
SMILESCOc1ccc(CC(C)(O)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-16(19,17(13-18)10-4-3-5-11-17)12-14-6-8-15(20-2)9-7-14/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyJYGAJHSSZNDJDD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile

1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile (PubChem CID 79130076) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile
PubChem CID79130076
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile
SMILESCOc1ccc(CC(C)(O)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-16(19,17(13-18)10-4-3-5-11-17)12-14-6-8-15(20-2)9-7-14/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyJYGAJHSSZNDJDD-UHFFFAOYSA-N
XLogP3.46
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile 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-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile
CID 114835013
3-hydroxy-4-(4-methoxyphenyl)-2,2,3-trimethylbutanenitrile
CID 79129241
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
1-[1-(4-bromophenyl)-1-hydroxyethyl]cyclooctane-1-carbonitrile
CID 80604006
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile (CID 79130076) is 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile is COc1ccc(CC(C)(O)C2(C#N)CCCCC2)cc1.
What is the InChIKey of 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile?
The InChIKey is JYGAJHSSZNDJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(19,17(13-18)10-4-3-5-11-17)12-14-6-8-15(20-2)9-7-14/h6-9,19H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile?
1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 79130076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).