1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol

C16H13IO2 — CID 65477865

IUPAC1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13IO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2
InChIKeyRJGQXEANSPOVQI-UHFFFAOYSA-N
MW364.18 g/mol
LogP4.31
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol

1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol (PubChem CID 65477865) has the molecular formula C16H13IO2 and a molecular weight of 364.18 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
PubChem CID65477865
Molecular FormulaC16H13IO2
Molecular Weight364.18 g/mol
Exact Mass364.00
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
SMILESOC(Cc1ccc(I)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13IO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2
InChIKeyRJGQXEANSPOVQI-UHFFFAOYSA-N
XLogP4.31
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.31
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

1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
[1-(1-benzofuran-2-yl)-2-phenylethyl]hydrazine
CID 105195415
[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]azanium
CID 140776559
methyl 4-[2-[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 12816504

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol (CID 65477865) is 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol is OC(Cc1ccc(I)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol?
The InChIKey is RJGQXEANSPOVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IO2/c17-13-7-5-11(6-8-13)9-14(18)16-10-12-3-1-2-4-15(12)19-16/h1-8,10,14,18H,9H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol?
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol has a molecular weight of 364.18 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 65477865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).