3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde

C14H10I2O2 — CID 21211244

IUPAC3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C14H10I2O2/c15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16/h1-8H,9H2
InChIKeyKVTKGWFSOWOXCA-UHFFFAOYSA-N
MW464.04 g/mol
LogP4.29
Rot. Bonds4

About 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde

3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde (PubChem CID 21211244) has the molecular formula C14H10I2O2 and a molecular weight of 464.04 g/mol. Its IUPAC name is 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
PubChem CID21211244
Molecular FormulaC14H10I2O2
Molecular Weight464.04 g/mol
Exact Mass463.88
IUPAC Name3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccc(I)cc2)c(I)c1
InChIInChI=1S/C14H10I2O2/c15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16/h1-8H,9H2
InChIKeyKVTKGWFSOWOXCA-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.04
LogP ≤ 54.29
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

3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
5-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124601493
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 3417152
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
4-hydroxy-3-iodo-5-phenylmethoxybenzaldehyde
CID 22456878
2-chloro-N-[[3-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3467795
methyl (E)-3-[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684654
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
CID 89022635
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde (CID 21211244) is 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde is O=Cc1ccc(OCc2ccc(I)cc2)c(I)c1.
What is the InChIKey of 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde?
The InChIKey is KVTKGWFSOWOXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10I2O2/c15-12-4-1-10(2-5-12)9-18-14-6-3-11(8-17)7-13(14)16/h1-8H,9H2.
What are the key properties of 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde?
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde has a molecular weight of 464.04 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 21211244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).