8-(4-iodophenyl)-8-oxooctanenitrile

C14H16INO — CID 24723848

IUPAC8-(4-iodophenyl)-8-oxooctanenitrile
SMILESN#CCCCCCCC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-13-9-7-12(8-10-13)14(17)6-4-2-1-3-5-11-16/h7-10H,1-6H2
InChIKeyBWBAVCUYDQLOGZ-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.34
Rot. Bonds7

About 8-(4-iodophenyl)-8-oxooctanenitrile

8-(4-iodophenyl)-8-oxooctanenitrile (PubChem CID 24723848) has the molecular formula C14H16INO and a molecular weight of 341.19 g/mol. Its IUPAC name is 8-(4-iodophenyl)-8-oxooctanenitrile.

Molecular Properties

Compound Name8-(4-iodophenyl)-8-oxooctanenitrile
PubChem CID24723848
Molecular FormulaC14H16INO
Molecular Weight341.19 g/mol
Exact Mass341.03
IUPAC Name8-(4-iodophenyl)-8-oxooctanenitrile
SMILESN#CCCCCCCC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H16INO/c15-13-9-7-12(8-10-13)14(17)6-4-2-1-3-5-11-16/h7-10H,1-6H2
InChIKeyBWBAVCUYDQLOGZ-UHFFFAOYSA-N
XLogP4.34
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylsulfinylphenyl)-7-oxoheptanenitrile
CID 21396437
6-chloro-1-(4-iodophenyl)hexan-1-one
CID 24723862
7-chloro-1-(4-iodophenyl)heptan-1-one
CID 24723863
4-(4-cyanobutanoyl)benzonitrile
CID 24723827
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
amino 9-(4-iodophenyl)-9-oxononanoate
CID 174840232
5-(3,4-dimethylphenyl)-5-oxopentanenitrile
CID 82076500
14-[6-(dimethylamino)naphthalen-2-yl]-14-oxotetradecanenitrile
CID 11372781
5-(4-butan-2-ylphenyl)-5-oxopentanenitrile
CID 112508119
[2-(4-bromophenyl)-2-oxoethyl] 7-cyanoheptanoate
CID 71383015
1-(4-iodophenyl)hex-4-yn-1-one
CID 115801652
4-(7-chloroheptanoyl)benzonitrile
CID 24726786

Frequently Asked Questions

What is the IUPAC name of 8-(4-iodophenyl)-8-oxooctanenitrile?
The IUPAC name of 8-(4-iodophenyl)-8-oxooctanenitrile (CID 24723848) is 8-(4-iodophenyl)-8-oxooctanenitrile.
What is the SMILES notation for 8-(4-iodophenyl)-8-oxooctanenitrile?
The canonical SMILES for 8-(4-iodophenyl)-8-oxooctanenitrile is N#CCCCCCCC(=O)c1ccc(I)cc1.
What is the InChIKey of 8-(4-iodophenyl)-8-oxooctanenitrile?
The InChIKey is BWBAVCUYDQLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO/c15-13-9-7-12(8-10-13)14(17)6-4-2-1-3-5-11-16/h7-10H,1-6H2.
What are the key properties of 8-(4-iodophenyl)-8-oxooctanenitrile?
8-(4-iodophenyl)-8-oxooctanenitrile has a molecular weight of 341.19 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-iodophenyl)-8-oxooctanenitrile is sourced from PubChem (CID 24723848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).