2-[2-(cyanomethoxy)phenyl]acetonitrile

C10H8N2O — CID 55267337

IUPAC2-[2-(cyanomethoxy)phenyl]acetonitrile
SMILESN#CCOc1ccccc1CC#N
InChIInChI=1S/C10H8N2O/c11-6-5-9-3-1-2-4-10(9)13-8-7-12/h1-4H,5,8H2
InChIKeySHSYXDMXUCCZIF-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(cyanomethoxy)phenyl]acetonitrile

2-[2-(cyanomethoxy)phenyl]acetonitrile (PubChem CID 55267337) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-[2-(cyanomethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(cyanomethoxy)phenyl]acetonitrile
PubChem CID55267337
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-[2-(cyanomethoxy)phenyl]acetonitrile
SMILESN#CCOc1ccccc1CC#N
InChIInChI=1S/C10H8N2O/c11-6-5-9-3-1-2-4-10(9)13-8-7-12/h1-4H,5,8H2
InChIKeySHSYXDMXUCCZIF-UHFFFAOYSA-N
XLogP1.66
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
2-(2-pentoxyphenyl)acetonitrile
CID 19869712
2-(2-but-3-enoxyphenyl)acetonitrile
CID 118308847
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-(10,10-difluorodecoxy)phenyl]acetonitrile
CID 151705532
2-naphthalen-1-yloxyacetonitrile
CID 4123375
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397
2-[2-[(4-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43790331
2-[3-(aminomethyl)-2-chlorophenoxy]acetonitrile
CID 131209243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyanomethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[2-(cyanomethoxy)phenyl]acetonitrile (CID 55267337) is 2-[2-(cyanomethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(cyanomethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(cyanomethoxy)phenyl]acetonitrile is N#CCOc1ccccc1CC#N.
What is the InChIKey of 2-[2-(cyanomethoxy)phenyl]acetonitrile?
The InChIKey is SHSYXDMXUCCZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-6-5-9-3-1-2-4-10(9)13-8-7-12/h1-4H,5,8H2.
What are the key properties of 2-[2-(cyanomethoxy)phenyl]acetonitrile?
2-[2-(cyanomethoxy)phenyl]acetonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyanomethoxy)phenyl]acetonitrile is sourced from PubChem (CID 55267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).