4-[(4-iodophenyl)methoxy]benzaldehyde

C14H11IO2 — CID 882484

IUPAC4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H11IO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
InChIKeyIMHKKJUCKKBNLE-UHFFFAOYSA-N
MW338.14 g/mol
LogP3.68
Rot. Bonds4

About 4-[(4-iodophenyl)methoxy]benzaldehyde

4-[(4-iodophenyl)methoxy]benzaldehyde (PubChem CID 882484) has the molecular formula C14H11IO2 and a molecular weight of 338.14 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]benzaldehyde
PubChem CID882484
Molecular FormulaC14H11IO2
Molecular Weight338.14 g/mol
Exact Mass337.98
IUPAC Name4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H11IO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
InChIKeyIMHKKJUCKKBNLE-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
(E)-3-[4-[(4-iodophenyl)methoxy]phenyl]prop-2-enoic acid
CID 17245134
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 21211244
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 3417152
4-[[4-(2-methylpropanoyl)phenyl]methoxy]benzaldehyde
CID 87614640
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(4-iodophenyl)methoxy]benzaldehyde (CID 882484) is 4-[(4-iodophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]benzaldehyde?
The InChIKey is IMHKKJUCKKBNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2.
What are the key properties of 4-[(4-iodophenyl)methoxy]benzaldehyde?
4-[(4-iodophenyl)methoxy]benzaldehyde has a molecular weight of 338.14 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 882484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).