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

C16H13Cl2IO2 — CID 103217068

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H13Cl2IO2/c17-12-5-10-3-4-21-16(10)11(6-12)8-15(20)9-1-2-14(19)13(18)7-9/h1-2,5-7,15,20H,3-4,8H2
InChIKeyIHIFEVXRUXRYJQ-UHFFFAOYSA-N
MW435.09 g/mol
LogP4.81
Rot. Bonds3

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

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol (PubChem CID 103217068) has the molecular formula C16H13Cl2IO2 and a molecular weight of 435.09 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
PubChem CID103217068
Molecular FormulaC16H13Cl2IO2
Molecular Weight435.09 g/mol
Exact Mass433.93
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
SMILESOC(Cc1cc(Cl)cc2c1OCC2)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H13Cl2IO2/c17-12-5-10-3-4-21-16(10)11(6-12)8-15(20)9-1-2-14(19)13(18)7-9/h1-2,5-7,15,20H,3-4,8H2
InChIKeyIHIFEVXRUXRYJQ-UHFFFAOYSA-N
XLogP4.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.09
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 106859484
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219837
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol (CID 103217068) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol is OC(Cc1cc(Cl)cc2c1OCC2)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol?
The InChIKey is IHIFEVXRUXRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2IO2/c17-12-5-10-3-4-21-16(10)11(6-12)8-15(20)9-1-2-14(19)13(18)7-9/h1-2,5-7,15,20H,3-4,8H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol has a molecular weight of 435.09 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol is sourced from PubChem (CID 103217068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).