4-(4-phenoxyphenyl)but-3-enenitrile

C16H13NO — CID 170800627

IUPAC4-(4-phenoxyphenyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H13NO/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12H,5H2
InChIKeyYQXLEOGTOMUGEU-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.41
Rot. Bonds4

About 4-(4-phenoxyphenyl)but-3-enenitrile

4-(4-phenoxyphenyl)but-3-enenitrile (PubChem CID 170800627) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)but-3-enenitrile
PubChem CID170800627
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-(4-phenoxyphenyl)but-3-enenitrile
SMILESN#CCC=Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H13NO/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12H,5H2
InChIKeyYQXLEOGTOMUGEU-UHFFFAOYSA-N
XLogP4.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
4-(4-anilinophenyl)but-3-enenitrile
CID 90791121
but-1-enylbenzene;phenoxybenzene
CID 175609674
4-[4-[[4-(3-cyanoprop-1-enyl)phenyl]methyl]phenyl]but-3-enenitrile
CID 57091596
2-(4-phenoxyphenoxy)acetonitrile
CID 22688450
(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
CID 58883202
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
1-[(1E)-buta-1,3-dienyl]-4-(4-phenoxyphenyl)benzene
CID 141094206
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
4-(3-anilinophenyl)but-3-enenitrile
CID 170800636
4-pyridin-3-ylbut-3-enenitrile
CID 170799077

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)but-3-enenitrile?
The IUPAC name of 4-(4-phenoxyphenyl)but-3-enenitrile (CID 170800627) is 4-(4-phenoxyphenyl)but-3-enenitrile.
What is the SMILES notation for 4-(4-phenoxyphenyl)but-3-enenitrile?
The canonical SMILES for 4-(4-phenoxyphenyl)but-3-enenitrile is N#CCC=Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenoxyphenyl)but-3-enenitrile?
The InChIKey is YQXLEOGTOMUGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c17-13-5-4-6-14-9-11-16(12-10-14)18-15-7-2-1-3-8-15/h1-4,6-12H,5H2.
What are the key properties of 4-(4-phenoxyphenyl)but-3-enenitrile?
4-(4-phenoxyphenyl)but-3-enenitrile has a molecular weight of 235.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)but-3-enenitrile is sourced from PubChem (CID 170800627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).