3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile

C15H12ClNO2 — CID 109414638

IUPAC3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-14-7-2-1-6-13(14)15(18)10-19-12-5-3-4-11(8-12)9-17/h1-8,15,18H,10H2
InChIKeyCBFKBLYGUHVBKK-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile

3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile (PubChem CID 109414638) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
PubChem CID109414638
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1cccc(OCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-14-7-2-1-6-13(14)15(18)10-19-12-5-3-4-11(8-12)9-17/h1-8,15,18H,10H2
InChIKeyCBFKBLYGUHVBKK-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-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
2-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile
CID 109413414
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60896465
3-(3,3,3-trifluoro-2-hydroxypropoxy)benzonitrile
CID 63901285
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
3-[3-(2-chlorophenyl)sulfanylpropoxy]benzonitrile
CID 43289967
3-[3-(2-aminophenoxy)-2-hydroxypropoxy]benzonitrile
CID 62268306
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
3-(2,4-dimethyl-3-oxopentoxy)benzonitrile;ethane
CID 178167710
3-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288773
3-[2-hydroxy-3-(pyrrol-1-ylamino)propoxy]benzonitrile
CID 79100947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The IUPAC name of 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile (CID 109414638) is 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The canonical SMILES for 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile is N#Cc1cccc(OCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
The InChIKey is CBFKBLYGUHVBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-14-7-2-1-6-13(14)15(18)10-19-12-5-3-4-11(8-12)9-17/h1-8,15,18H,10H2.
What are the key properties of 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile?
3-[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 3-[2-(2-chlorophenyl)-2-hydroxyethoxy]benzonitrile is sourced from PubChem (CID 109414638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).