2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile

C11H11Cl2NO — CID 117049997

IUPAC2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile
SMILESCC(C#N)(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-11(7-14,4-5-15)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5H2,1H3
InChIKeyWRXDNRVRJGUDPP-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.16
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile

2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile (PubChem CID 117049997) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile
PubChem CID117049997
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile
SMILESCC(C#N)(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO/c1-11(7-14,4-5-15)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5H2,1H3
InChIKeyWRXDNRVRJGUDPP-UHFFFAOYSA-N
XLogP3.16
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile 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

4-hydroxy-2-methyl-2-(2,3,4-trifluorophenyl)butanenitrile
CID 117049992
(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
CID 30123245
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
CID 66091467
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
CID 62787833
(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
CID 130625511
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
CID 124567272
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylpentanenitrile
CID 65263232
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile (CID 117049997) is 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile is CC(C#N)(CCO)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile?
The InChIKey is WRXDNRVRJGUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-11(7-14,4-5-15)9-6-8(12)2-3-10(9)13/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile?
2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile has a molecular weight of 244.12 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile is sourced from PubChem (CID 117049997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).