2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile

C15H12ClNO2 — CID 109413414

IUPAC2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO2/c16-13-7-3-2-6-12(13)14(18)10-19-15-8-4-1-5-11(15)9-17/h1-8,14,18H,10H2
InChIKeyBZUHSVTYORGVMF-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.32
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile

2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile (PubChem CID 109413414) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
PubChem CID109413414
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO2/c16-13-7-3-2-6-12(13)14(18)10-19-15-8-4-1-5-11(15)9-17/h1-8,14,18H,10H2
InChIKeyBZUHSVTYORGVMF-UHFFFAOYSA-N
XLogP3.32
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
CID 109414638
2-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]benzonitrile
CID 154193939
2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288772
1-(2-chlorophenyl)-2-(2-fluoro-6-methoxyphenoxy)ethanol
CID 109416021
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152
2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
CID 43288624
2-[3-(2,2-difluoroethylamino)-2-hydroxypropoxy]benzonitrile
CID 113303744
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-prop-2-ynoxybenzonitrile
CID 11040948
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
2-(2-bromo-3,3,3-trifluoropropoxy)benzonitrile
CID 64758929
2-(2-methylpentoxy)benzonitrile
CID 62265352

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile (CID 109413414) is 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile is N#Cc1ccccc1OCC(O)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The InChIKey is BZUHSVTYORGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-7-3-2-6-12(13)14(18)10-19-15-8-4-1-5-11(15)9-17/h1-8,14,18H,10H2.
What are the key properties of 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile is sourced from PubChem (CID 109413414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).