4-[(4-iodophenoxy)methyl]benzonitrile

C14H10INO — CID 7694615

IUPAC4-[(4-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(I)cc2)cc1
InChIInChI=1S/C14H10INO/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8H,10H2
InChIKeyCPYHJSBXYDELRI-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.74
Rot. Bonds3

About 4-[(4-iodophenoxy)methyl]benzonitrile

4-[(4-iodophenoxy)methyl]benzonitrile (PubChem CID 7694615) has the molecular formula C14H10INO and a molecular weight of 335.14 g/mol. Its IUPAC name is 4-[(4-iodophenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-iodophenoxy)methyl]benzonitrile
PubChem CID7694615
Molecular FormulaC14H10INO
Molecular Weight335.14 g/mol
Exact Mass334.98
IUPAC Name4-[(4-iodophenoxy)methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(I)cc2)cc1
InChIInChI=1S/C14H10INO/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8H,10H2
InChIKeyCPYHJSBXYDELRI-UHFFFAOYSA-N
XLogP3.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
CID 43326483

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenoxy)methyl]benzonitrile?
The IUPAC name of 4-[(4-iodophenoxy)methyl]benzonitrile (CID 7694615) is 4-[(4-iodophenoxy)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-iodophenoxy)methyl]benzonitrile?
The canonical SMILES for 4-[(4-iodophenoxy)methyl]benzonitrile is N#Cc1ccc(COc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenoxy)methyl]benzonitrile?
The InChIKey is CPYHJSBXYDELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8H,10H2.
What are the key properties of 4-[(4-iodophenoxy)methyl]benzonitrile?
4-[(4-iodophenoxy)methyl]benzonitrile has a molecular weight of 335.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenoxy)methyl]benzonitrile is sourced from PubChem (CID 7694615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).