4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile

C13H14ClNO2 — CID 113277308

IUPAC4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1OC1CCCCC1O
InChIInChI=1S/C13H14ClNO2/c14-10-6-5-9(8-15)13(7-10)17-12-4-2-1-3-11(12)16/h5-7,11-12,16H,1-4H2
InChIKeyBDMCJASYZIGLIJ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile

4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile (PubChem CID 113277308) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
PubChem CID113277308
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1ccc(Cl)cc1OC1CCCCC1O
InChIInChI=1S/C13H14ClNO2/c14-10-6-5-9(8-15)13(7-10)17-12-4-2-1-3-11(12)16/h5-7,11-12,16H,1-4H2
InChIKeyBDMCJASYZIGLIJ-UHFFFAOYSA-N
XLogP2.89
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile 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-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 113277283
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
4-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732523
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile?
The IUPAC name of 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile (CID 113277308) is 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile.
What is the SMILES notation for 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile?
The canonical SMILES for 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile is N#Cc1ccc(Cl)cc1OC1CCCCC1O.
What is the InChIKey of 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile?
The InChIKey is BDMCJASYZIGLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-10-6-5-9(8-15)13(7-10)17-12-4-2-1-3-11(12)16/h5-7,11-12,16H,1-4H2.
What are the key properties of 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile?
4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile has a molecular weight of 251.71 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile is sourced from PubChem (CID 113277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).