5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile

C18H18FNO2 — CID 82137676

IUPAC5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
SMILESCOc1ccccc1C(C#N)CCCOc1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-21-17-10-4-2-8-15(17)14(13-20)7-6-12-22-18-11-5-3-9-16(18)19/h2-5,8-11,14H,6-7,12H2,1H3
InChIKeyALCWKGUDVZCKFE-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.30
Rot. Bonds7

About 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile

5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile (PubChem CID 82137676) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
PubChem CID82137676
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
SMILESCOc1ccccc1C(C#N)CCCOc1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-21-17-10-4-2-8-15(17)14(13-20)7-6-12-22-18-11-5-3-9-16(18)19/h2-5,8-11,14H,6-7,12H2,1H3
InChIKeyALCWKGUDVZCKFE-UHFFFAOYSA-N
XLogP4.30
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.30
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

2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pentanenitrile
CID 82137130
4-(2-ethoxyphenoxy)-2-(2-fluorophenyl)butanenitrile
CID 82137283
2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
5-(4-chlorophenoxy)-2-(2-fluorophenyl)pentanenitrile
CID 82137230
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
4-(2-fluorophenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137552
(2S)-5-(2-bromophenoxy)-2-(2,4-dichlorophenyl)pentanenitrile
CID 129362493
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
4-(2-fluorophenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027275

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile?
The IUPAC name of 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile (CID 82137676) is 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile?
The canonical SMILES for 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile is COc1ccccc1C(C#N)CCCOc1ccccc1F.
What is the InChIKey of 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile?
The InChIKey is ALCWKGUDVZCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-21-17-10-4-2-8-15(17)14(13-20)7-6-12-22-18-11-5-3-9-16(18)19/h2-5,8-11,14H,6-7,12H2,1H3.
What are the key properties of 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile?
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile has a molecular weight of 299.35 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile is sourced from PubChem (CID 82137676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).