2-[3-(2-chloroethoxy)phenyl]acetonitrile

C10H10ClNO — CID 171785763

IUPAC2-[3-(2-chloroethoxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OCCCl)c1
InChIInChI=1S/C10H10ClNO/c11-5-7-13-10-3-1-2-9(8-10)4-6-12/h1-3,8H,4-5,7H2
InChIKeyJQFXYEUXHBRDAJ-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.37
Rot. Bonds4

About 2-[3-(2-chloroethoxy)phenyl]acetonitrile

2-[3-(2-chloroethoxy)phenyl]acetonitrile (PubChem CID 171785763) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-[3-(2-chloroethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-chloroethoxy)phenyl]acetonitrile
PubChem CID171785763
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-[3-(2-chloroethoxy)phenyl]acetonitrile
SMILESN#CCc1cccc(OCCCl)c1
InChIInChI=1S/C10H10ClNO/c11-5-7-13-10-3-1-2-9(8-10)4-6-12/h1-3,8H,4-5,7H2
InChIKeyJQFXYEUXHBRDAJ-UHFFFAOYSA-N
XLogP2.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-but-3-enoxyphenyl)acetonitrile
CID 70597705
2-[3-[2-(3-propoxyphenyl)ethyl]phenyl]acetonitrile
CID 141318106
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-[3-[chloro(difluoro)methoxy]phenyl]acetonitrile
CID 121234814
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243670
2-[3-(oxetan-3-yloxy)phenyl]acetonitrile
CID 84771028
5-[3-(chloromethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65255992
2-(3-thiophen-2-yloxyphenyl)acetonitrile
CID 70520941

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloroethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[3-(2-chloroethoxy)phenyl]acetonitrile (CID 171785763) is 2-[3-(2-chloroethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(2-chloroethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(2-chloroethoxy)phenyl]acetonitrile is N#CCc1cccc(OCCCl)c1.
What is the InChIKey of 2-[3-(2-chloroethoxy)phenyl]acetonitrile?
The InChIKey is JQFXYEUXHBRDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-5-7-13-10-3-1-2-9(8-10)4-6-12/h1-3,8H,4-5,7H2.
What are the key properties of 2-[3-(2-chloroethoxy)phenyl]acetonitrile?
2-[3-(2-chloroethoxy)phenyl]acetonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloroethoxy)phenyl]acetonitrile is sourced from PubChem (CID 171785763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).