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

C17H17NO2 — CID 67272914

IUPAC2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
SMILESCOCCOc1cccc(-c2ccccc2CC#N)c1
InChIInChI=1S/C17H17NO2/c1-19-11-12-20-16-7-4-6-15(13-16)17-8-3-2-5-14(17)9-10-18/h2-8,13H,9,11-12H2,1H3
InChIKeyMIBZWISMARBULD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.44
Rot. Bonds6

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

2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile (PubChem CID 67272914) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
PubChem CID67272914
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
SMILESCOCCOc1cccc(-c2ccccc2CC#N)c1
InChIInChI=1S/C17H17NO2/c1-19-11-12-20-16-7-4-6-15(13-16)17-8-3-2-5-14(17)9-10-18/h2-8,13H,9,11-12H2,1H3
InChIKeyMIBZWISMARBULD-UHFFFAOYSA-N
XLogP3.44
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
2-[2-(2-methoxyethyl)phenyl]acetonitrile
CID 22645928
2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
CID 82107009
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
3-hydroxy-3-[3-(2-methoxyethoxy)phenyl]propanenitrile
CID 67316257
2-[3-(2-methoxyethoxy)phenyl]isoindole-1,3-dione
CID 17169748
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile (CID 67272914) is 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile is COCCOc1cccc(-c2ccccc2CC#N)c1.
What is the InChIKey of 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile?
The InChIKey is MIBZWISMARBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-11-12-20-16-7-4-6-15(13-16)17-8-3-2-5-14(17)9-10-18/h2-8,13H,9,11-12H2,1H3.
What are the key properties of 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile?
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile is sourced from PubChem (CID 67272914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).