[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate

C18H10Cl3IO3 — CID 23100763

IUPAC[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
SMILESO=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(I)ccc1Cl
InChIInChI=1S/C18H10Cl3IO3/c19-14-6-4-10(22)8-13(14)18(23)24-9-11-5-7-16(25-11)12-2-1-3-15(20)17(12)21/h1-8H,9H2
InChIKeyGIIADHBHVUZASL-UHFFFAOYSA-N
MW507.54 g/mol
LogP6.87
Rot. Bonds4

About [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate

[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate (PubChem CID 23100763) has the molecular formula C18H10Cl3IO3 and a molecular weight of 507.54 g/mol. Its IUPAC name is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate.

Molecular Properties

Compound Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
PubChem CID23100763
Molecular FormulaC18H10Cl3IO3
Molecular Weight507.54 g/mol
Exact Mass505.87
IUPAC Name[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate
SMILESO=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(I)ccc1Cl
InChIInChI=1S/C18H10Cl3IO3/c19-14-6-4-10(22)8-13(14)18(23)24-9-11-5-7-16(25-11)12-2-1-3-15(20)17(12)21/h1-8H,9H2
InChIKeyGIIADHBHVUZASL-UHFFFAOYSA-N
XLogP6.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.54
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate?
The IUPAC name of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate (CID 23100763) is [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate.
What is the SMILES notation for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate?
The canonical SMILES for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate is O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(I)ccc1Cl.
What is the InChIKey of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate?
The InChIKey is GIIADHBHVUZASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3IO3/c19-14-6-4-10(22)8-13(14)18(23)24-9-11-5-7-16(25-11)12-2-1-3-15(20)17(12)21/h1-8H,9H2.
What are the key properties of [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate?
[5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate has a molecular weight of 507.54 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dichlorophenyl)furan-2-yl]methyl 2-chloro-5-iodobenzoate is sourced from PubChem (CID 23100763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).