2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde

C14H8Cl2I2O2 — CID 4767221

IUPAC2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)cc(I)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2I2O2/c15-11-2-1-3-12(16)10(11)7-20-14-8(6-19)4-9(17)5-13(14)18/h1-6H,7H2
InChIKeyFNKALWHYYPUVQG-UHFFFAOYSA-N
MW532.93 g/mol
LogP5.59
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde

2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde (PubChem CID 4767221) has the molecular formula C14H8Cl2I2O2 and a molecular weight of 532.93 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde
PubChem CID4767221
Molecular FormulaC14H8Cl2I2O2
Molecular Weight532.93 g/mol
Exact Mass531.80
IUPAC Name2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)cc(I)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2I2O2/c15-11-2-1-3-12(16)10(11)7-20-14-8(6-19)4-9(17)5-13(14)18/h1-6H,7H2
InChIKeyFNKALWHYYPUVQG-UHFFFAOYSA-N
XLogP5.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.93
LogP ≤ 55.59
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

2-[(3-bromophenyl)methoxy]-3,5-diiodobenzaldehyde
CID 4767295
2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]-3,5-diiodophenyl]propanoic acid
CID 22035602
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
CID 112611220
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324
3-chloro-2-[(3-iodophenoxy)methyl]aniline
CID 63746124
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
3-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde;ethene
CID 87257616
4-[(2,6-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
CID 4767250
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde?
The IUPAC name of 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde (CID 4767221) is 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde is O=Cc1cc(I)cc(I)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde?
The InChIKey is FNKALWHYYPUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2I2O2/c15-11-2-1-3-12(16)10(11)7-20-14-8(6-19)4-9(17)5-13(14)18/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde?
2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde has a molecular weight of 532.93 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methoxy]-3,5-diiodobenzaldehyde is sourced from PubChem (CID 4767221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).