2-chloro-4-(2-hydroxyethoxy)benzonitrile

C9H8ClNO2 — CID 62948337

IUPAC2-chloro-4-(2-hydroxyethoxy)benzonitrile
SMILESN#Cc1ccc(OCCO)cc1Cl
InChIInChI=1S/C9H8ClNO2/c10-9-5-8(13-4-3-12)2-1-7(9)6-11/h1-2,5,12H,3-4H2
InChIKeyLCDGCGYJVJJVJH-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-4-(2-hydroxyethoxy)benzonitrile

2-chloro-4-(2-hydroxyethoxy)benzonitrile (PubChem CID 62948337) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-chloro-4-(2-hydroxyethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-hydroxyethoxy)benzonitrile
PubChem CID62948337
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-chloro-4-(2-hydroxyethoxy)benzonitrile
SMILESN#Cc1ccc(OCCO)cc1Cl
InChIInChI=1S/C9H8ClNO2/c10-9-5-8(13-4-3-12)2-1-7(9)6-11/h1-2,5,12H,3-4H2
InChIKeyLCDGCGYJVJJVJH-UHFFFAOYSA-N
XLogP1.58
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
CID 102674632
2-chloro-4-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 102674649
2-chloro-4-decoxybenzonitrile
CID 102724082
2-chloro-4-pent-4-ynoxybenzonitrile
CID 102674687
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzonitrile
CID 43138569
2-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methoxy]benzonitrile
CID 58031835
3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
CID 102724123
2-chloro-4-[(4-chlorophenyl)methoxy]benzonitrile
CID 65126447
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077
2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile
CID 106438469
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
CID 102674720
2-chloro-4-(oxiran-2-ylmethoxy)benzonitrile
CID 87485257

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-hydroxyethoxy)benzonitrile?
The IUPAC name of 2-chloro-4-(2-hydroxyethoxy)benzonitrile (CID 62948337) is 2-chloro-4-(2-hydroxyethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-4-(2-hydroxyethoxy)benzonitrile?
The canonical SMILES for 2-chloro-4-(2-hydroxyethoxy)benzonitrile is N#Cc1ccc(OCCO)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-hydroxyethoxy)benzonitrile?
The InChIKey is LCDGCGYJVJJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-9-5-8(13-4-3-12)2-1-7(9)6-11/h1-2,5,12H,3-4H2.
What are the key properties of 2-chloro-4-(2-hydroxyethoxy)benzonitrile?
2-chloro-4-(2-hydroxyethoxy)benzonitrile has a molecular weight of 197.62 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-hydroxyethoxy)benzonitrile is sourced from PubChem (CID 62948337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).