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

C15H15IO2S — CID 79683741

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3csc(I)c3)ccc2O1
InChIInChI=1S/C15H15IO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8,14,17H,7H2,1-2H3
InChIKeyQUSVWLHPUPJPFZ-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.15
Rot. Bonds2

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

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol (PubChem CID 79683741) has the molecular formula C15H15IO2S and a molecular weight of 386.25 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
PubChem CID79683741
Molecular FormulaC15H15IO2S
Molecular Weight386.25 g/mol
Exact Mass385.98
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
SMILESCC1(C)Cc2cc(C(O)c3csc(I)c3)ccc2O1
InChIInChI=1S/C15H15IO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8,14,17H,7H2,1-2H3
InChIKeyQUSVWLHPUPJPFZ-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(5-iodothiophen-3-yl)methanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol (CID 79683741) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol is CC1(C)Cc2cc(C(O)c3csc(I)c3)ccc2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol?
The InChIKey is QUSVWLHPUPJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO2S/c1-15(2)7-10-5-9(3-4-12(10)18-15)14(17)11-6-13(16)19-8-11/h3-6,8,14,17H,7H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol has a molecular weight of 386.25 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79683741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).