2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol

C17H15IO3 — CID 2751418

IUPAC2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol
SMILESCc1ccc(C(c2ccc(C)o2)c2cc(I)ccc2O)o1
InChIInChI=1S/C17H15IO3/c1-10-3-7-15(20-10)17(16-8-4-11(2)21-16)13-9-12(18)5-6-14(13)19/h3-9,17,19H,1-2H3
InChIKeyRIQILYVCSSYOQI-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.98
Rot. Bonds3

About 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol

2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol (PubChem CID 2751418) has the molecular formula C17H15IO3 and a molecular weight of 394.21 g/mol. Its IUPAC name is 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol.

Molecular Properties

Compound Name2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol
PubChem CID2751418
Molecular FormulaC17H15IO3
Molecular Weight394.21 g/mol
Exact Mass394.01
IUPAC Name2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol
SMILESCc1ccc(C(c2ccc(C)o2)c2cc(I)ccc2O)o1
InChIInChI=1S/C17H15IO3/c1-10-3-7-15(20-10)17(16-8-4-11(2)21-16)13-9-12(18)5-6-14(13)19/h3-9,17,19H,1-2H3
InChIKeyRIQILYVCSSYOQI-UHFFFAOYSA-N
XLogP4.98
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol?
The IUPAC name of 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol (CID 2751418) is 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol.
What is the SMILES notation for 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol?
The canonical SMILES for 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol is Cc1ccc(C(c2ccc(C)o2)c2cc(I)ccc2O)o1.
What is the InChIKey of 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol?
The InChIKey is RIQILYVCSSYOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO3/c1-10-3-7-15(20-10)17(16-8-4-11(2)21-16)13-9-12(18)5-6-14(13)19/h3-9,17,19H,1-2H3.
What are the key properties of 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol?
2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol has a molecular weight of 394.21 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(5-methylfuran-2-yl)methyl]-4-iodophenol is sourced from PubChem (CID 2751418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).