4-(4-iodo-2-methoxyphenyl)sulfanylphenol

C13H11IO2S — CID 91879560

IUPAC4-(4-iodo-2-methoxyphenyl)sulfanylphenol
SMILESCOc1cc(I)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H11IO2S/c1-16-12-8-9(14)2-7-13(12)17-11-5-3-10(15)4-6-11/h2-8,15H,1H3
InChIKeyODPLDAYMMWSHTI-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.16
Rot. Bonds3

About 4-(4-iodo-2-methoxyphenyl)sulfanylphenol

4-(4-iodo-2-methoxyphenyl)sulfanylphenol (PubChem CID 91879560) has the molecular formula C13H11IO2S and a molecular weight of 358.20 g/mol. Its IUPAC name is 4-(4-iodo-2-methoxyphenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-iodo-2-methoxyphenyl)sulfanylphenol
PubChem CID91879560
Molecular FormulaC13H11IO2S
Molecular Weight358.20 g/mol
Exact Mass357.95
IUPAC Name4-(4-iodo-2-methoxyphenyl)sulfanylphenol
SMILESCOc1cc(I)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C13H11IO2S/c1-16-12-8-9(14)2-7-13(12)17-11-5-3-10(15)4-6-11/h2-8,15H,1H3
InChIKeyODPLDAYMMWSHTI-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.16
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 4-(4-iodo-2-methoxyphenyl)sulfanylphenol?
The IUPAC name of 4-(4-iodo-2-methoxyphenyl)sulfanylphenol (CID 91879560) is 4-(4-iodo-2-methoxyphenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-iodo-2-methoxyphenyl)sulfanylphenol?
The canonical SMILES for 4-(4-iodo-2-methoxyphenyl)sulfanylphenol is COc1cc(I)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-iodo-2-methoxyphenyl)sulfanylphenol?
The InChIKey is ODPLDAYMMWSHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2S/c1-16-12-8-9(14)2-7-13(12)17-11-5-3-10(15)4-6-11/h2-8,15H,1H3.
What are the key properties of 4-(4-iodo-2-methoxyphenyl)sulfanylphenol?
4-(4-iodo-2-methoxyphenyl)sulfanylphenol has a molecular weight of 358.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-2-methoxyphenyl)sulfanylphenol is sourced from PubChem (CID 91879560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).