2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile

C11H12ClNO3 — CID 102674632

IUPAC2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOCCO)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6H2
InChIKeyBSKMSGYVEWZJRT-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.60
Rot. Bonds6

About 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile

2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile (PubChem CID 102674632) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
PubChem CID102674632
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOCCO)cc1Cl
InChIInChI=1S/C11H12ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6H2
InChIKeyBSKMSGYVEWZJRT-UHFFFAOYSA-N
XLogP1.60
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-hydroxyethoxy)benzonitrile
CID 62948337
4-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzonitrile
CID 10572027
2-chloro-4-(3-hydroxy-3-methylbutoxy)benzonitrile
CID 102674649
2-chloro-4-decoxybenzonitrile
CID 102724082
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
CID 102723882
2-chloro-4-pent-4-ynoxybenzonitrile
CID 102674687
2-chloro-4-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 61070703
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methoxy]benzonitrile
CID 58031835
3-(3-chloro-4-cyanophenoxy)-N-ethylpropanamide
CID 102724123
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
2-chloro-4-(2-ethylbutoxy)benzonitrile
CID 102724077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile?
The IUPAC name of 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile (CID 102674632) is 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile is N#Cc1ccc(OCCOCCO)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile?
The InChIKey is BSKMSGYVEWZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-11-7-10(2-1-9(11)8-13)16-6-5-15-4-3-14/h1-2,7,14H,3-6H2.
What are the key properties of 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile?
2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile has a molecular weight of 241.67 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-hydroxyethoxy)ethoxy]benzonitrile is sourced from PubChem (CID 102674632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).