(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol

C17H17IO2 — CID 62326718

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
SMILESCC1(C)Cc2cc(C(O)c3ccccc3I)ccc2O1
InChIInChI=1S/C17H17IO2/c1-17(2)10-12-9-11(7-8-15(12)20-17)16(19)13-5-3-4-6-14(13)18/h3-9,16,19H,10H2,1-2H3
InChIKeyWPCZGYXLOJXCJT-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.09
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol (PubChem CID 62326718) has the molecular formula C17H17IO2 and a molecular weight of 380.23 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
PubChem CID62326718
Molecular FormulaC17H17IO2
Molecular Weight380.23 g/mol
Exact Mass380.03
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol
SMILESCC1(C)Cc2cc(C(O)c3ccccc3I)ccc2O1
InChIInChI=1S/C17H17IO2/c1-17(2)10-12-9-11(7-8-15(12)20-17)16(19)13-5-3-4-6-14(13)18/h3-9,16,19H,10H2,1-2H3
InChIKeyWPCZGYXLOJXCJT-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol (CID 62326718) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol is CC1(C)Cc2cc(C(O)c3ccccc3I)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol?
The InChIKey is WPCZGYXLOJXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO2/c1-17(2)10-12-9-11(7-8-15(12)20-17)16(19)13-5-3-4-6-14(13)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol has a molecular weight of 380.23 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-iodophenyl)methanol is sourced from PubChem (CID 62326718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).