2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol

C15H13IO2 — CID 115838946

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)c1cccc2c1OCC2
InChIInChI=1S/C15H13IO2/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-7,14,17H,8-9H2
InChIKeySVICKSGPWZRODG-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.31
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol

2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol (PubChem CID 115838946) has the molecular formula C15H13IO2 and a molecular weight of 352.17 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
PubChem CID115838946
Molecular FormulaC15H13IO2
Molecular Weight352.17 g/mol
Exact Mass352.00
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
SMILESOC(c1ccccc1I)c1cccc2c1OCC2
InChIInChI=1S/C15H13IO2/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-7,14,17H,8-9H2
InChIKeySVICKSGPWZRODG-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.31
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

3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
[2-(difluoromethoxy)phenyl]-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743255
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol (CID 115838946) is 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol is OC(c1ccccc1I)c1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol?
The InChIKey is SVICKSGPWZRODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO2/c16-13-7-2-1-5-11(13)14(17)12-6-3-4-10-8-9-18-15(10)12/h1-7,14,17H,8-9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol has a molecular weight of 352.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol is sourced from PubChem (CID 115838946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).