3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde

C14H9Cl2IO2 — CID 3417152

IUPAC3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-7H,8H2
InChIKeySGTRJVVXRMVFJI-UHFFFAOYSA-N
MW407.03 g/mol
LogP4.99
Rot. Bonds4

About 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde

3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde (PubChem CID 3417152) has the molecular formula C14H9Cl2IO2 and a molecular weight of 407.03 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
PubChem CID3417152
Molecular FormulaC14H9Cl2IO2
Molecular Weight407.03 g/mol
Exact Mass405.90
IUPAC Name3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C14H9Cl2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-7H,8H2
InChIKeySGTRJVVXRMVFJI-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 54.99
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-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
3-chloro-4-[(3-iodophenyl)methoxy]-5-methoxybenzaldehyde
CID 2227802
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
3-iodo-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 21211244
2-chloro-N-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3515448
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
(5E)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126078473
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 126013910
(Z)-N-carbamoyl-2-cyano-3-[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]prop-2-enamide
CID 126256842
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126057484
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 124532234
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde (CID 3417152) is 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde is O=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde?
The InChIKey is SGTRJVVXRMVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IO2/c15-12-5-10(7-18)6-13(16)14(12)19-8-9-1-3-11(17)4-2-9/h1-7H,8H2.
What are the key properties of 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde?
3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde has a molecular weight of 407.03 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4-iodophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 3417152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).