3-(2-phenylphenoxy)pentanenitrile

C17H17NO — CID 43367670

IUPAC3-(2-phenylphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15H,2,12H2,1H3
InChIKeyGJIVYRVGNGBXNZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.42
Rot. Bonds5

About 3-(2-phenylphenoxy)pentanenitrile

3-(2-phenylphenoxy)pentanenitrile (PubChem CID 43367670) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)pentanenitrile.

Molecular Properties

Compound Name3-(2-phenylphenoxy)pentanenitrile
PubChem CID43367670
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-(2-phenylphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15H,2,12H2,1H3
InChIKeyGJIVYRVGNGBXNZ-UHFFFAOYSA-N
XLogP4.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-phenylphenoxy)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenoxy)pentanenitrile
CID 43367814
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
CID 43175259
3-(2,4,5-trichlorophenoxy)pentanenitrile
CID 43175049
4-(2-phenylphenoxy)butanenitrile
CID 14751947
[(2R)-1-cyanobutan-2-yl] 2-methoxybenzoate
CID 99790575
3-(4-methoxyphenoxy)pentanenitrile
CID 43367830
3-(2-bromo-4-methylphenoxy)pentanenitrile
CID 43368073
1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene
CID 23726770
4-methyl-3-[(1R)-1-(2-phenylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 6933055
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)pentanenitrile?
The IUPAC name of 3-(2-phenylphenoxy)pentanenitrile (CID 43367670) is 3-(2-phenylphenoxy)pentanenitrile.
What is the SMILES notation for 3-(2-phenylphenoxy)pentanenitrile?
The canonical SMILES for 3-(2-phenylphenoxy)pentanenitrile is CCC(CC#N)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(2-phenylphenoxy)pentanenitrile?
The InChIKey is GJIVYRVGNGBXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-15(12-13-18)19-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,15H,2,12H2,1H3.
What are the key properties of 3-(2-phenylphenoxy)pentanenitrile?
3-(2-phenylphenoxy)pentanenitrile has a molecular weight of 251.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)pentanenitrile is sourced from PubChem (CID 43367670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).