4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane

C15H14Cl2I2O4 — CID 158162781

IUPAC4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane
SMILESC.C=O.O=Cc1ccc(Cl)c(I)c1O.Oc1cccc(Cl)c1I
InChIInChI=1S/C7H4ClIO2.C6H4ClIO.CH2O.CH4/c8-5-2-1-4(3-10)7(11)6(5)9;7-4-2-1-3-5(9)6(4)8;1-2;/h1-3,11H;1-3,9H;1H2;1H4
InChIKeyFWMDGAHKKVQMCQ-UHFFFAOYSA-N
MW582.99 g/mol
LogP5.56
Rot. Bonds1

About 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane

4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane (PubChem CID 158162781) has the molecular formula C15H14Cl2I2O4 and a molecular weight of 582.99 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane.

Molecular Properties

Compound Name4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane
PubChem CID158162781
Molecular FormulaC15H14Cl2I2O4
Molecular Weight582.99 g/mol
Exact Mass581.84
IUPAC Name4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane
SMILESC.C=O.O=Cc1ccc(Cl)c(I)c1O.Oc1cccc(Cl)c1I
InChIInChI=1S/C7H4ClIO2.C6H4ClIO.CH2O.CH4/c8-5-2-1-4(3-10)7(11)6(5)9;7-4-2-1-3-5(9)6(4)8;1-2;/h1-3,11H;1-3,9H;1H2;1H4
InChIKeyFWMDGAHKKVQMCQ-UHFFFAOYSA-N
XLogP5.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.99
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane?
The IUPAC name of 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane (CID 158162781) is 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane.
What is the SMILES notation for 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane?
The canonical SMILES for 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane is C.C=O.O=Cc1ccc(Cl)c(I)c1O.Oc1cccc(Cl)c1I.
What is the InChIKey of 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane?
The InChIKey is FWMDGAHKKVQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO2.C6H4ClIO.CH2O.CH4/c8-5-2-1-4(3-10)7(11)6(5)9;7-4-2-1-3-5(9)6(4)8;1-2;/h1-3,11H;1-3,9H;1H2;1H4.
What are the key properties of 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane?
4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane has a molecular weight of 582.99 g/mol, XLogP of 5.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-3-iodobenzaldehyde;3-chloro-2-iodophenol;formaldehyde;methane is sourced from PubChem (CID 158162781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).