(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone

C15H9Cl2IO2 — CID 103219837

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H9Cl2IO2/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-13(18)12(17)6-8/h1-2,5-7H,3-4H2
InChIKeyHVQHLRUYALEPJY-UHFFFAOYSA-N
MW419.05 g/mol
LogP4.76
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone (PubChem CID 103219837) has the molecular formula C15H9Cl2IO2 and a molecular weight of 419.05 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
PubChem CID103219837
Molecular FormulaC15H9Cl2IO2
Molecular Weight419.05 g/mol
Exact Mass417.90
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H9Cl2IO2/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-13(18)12(17)6-8/h1-2,5-7H,3-4H2
InChIKeyHVQHLRUYALEPJY-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.05
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544276
(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107998411
(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544267
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-methylthiophen-2-yl)methanone
CID 113425375
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
(5-amino-2,4-dimethylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 102707076
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(3-amino-5-bromo-2-methylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874215
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103217068
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 104544748
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone (CID 103219837) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone is O=C(c1ccc(I)c(Cl)c1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone?
The InChIKey is HVQHLRUYALEPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IO2/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-13(18)12(17)6-8/h1-2,5-7H,3-4H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone has a molecular weight of 419.05 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone is sourced from PubChem (CID 103219837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).