4-(4-phenylmethoxyphenyl)pentanenitrile

C18H19NO — CID 83932950

IUPAC4-(4-phenylmethoxyphenyl)pentanenitrile
SMILESCC(CCC#N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-15(6-5-13-19)17-9-11-18(12-10-17)20-14-16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,14H2,1H3
InChIKeyPDQHQPFWHKXXIR-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-phenylmethoxyphenyl)pentanenitrile

4-(4-phenylmethoxyphenyl)pentanenitrile (PubChem CID 83932950) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)pentanenitrile
PubChem CID83932950
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(4-phenylmethoxyphenyl)pentanenitrile
SMILESCC(CCC#N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-15(6-5-13-19)17-9-11-18(12-10-17)20-14-16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,14H2,1H3
InChIKeyPDQHQPFWHKXXIR-UHFFFAOYSA-N
XLogP4.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
4-(4-hexoxyphenyl)pentanenitrile
CID 83932713
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
2-[[(1R)-2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]amino]acetonitrile
CID 88683365
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)pentanenitrile?
The IUPAC name of 4-(4-phenylmethoxyphenyl)pentanenitrile (CID 83932950) is 4-(4-phenylmethoxyphenyl)pentanenitrile.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)pentanenitrile?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)pentanenitrile is CC(CCC#N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)pentanenitrile?
The InChIKey is PDQHQPFWHKXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-15(6-5-13-19)17-9-11-18(12-10-17)20-14-16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,14H2,1H3.
What are the key properties of 4-(4-phenylmethoxyphenyl)pentanenitrile?
4-(4-phenylmethoxyphenyl)pentanenitrile has a molecular weight of 265.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)pentanenitrile is sourced from PubChem (CID 83932950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).