2-(4-hydroxyphenyl)ethanesulfonyl iodide

C8H9IO3S — CID 155006833

IUPAC2-(4-hydroxyphenyl)ethanesulfonyl iodide
SMILESO=S(=O)(I)CCc1ccc(O)cc1
InChIInChI=1S/C8H9IO3S/c9-13(11,12)6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChIKeyKPWKSZWWWGMCTK-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-hydroxyphenyl)ethanesulfonyl iodide

2-(4-hydroxyphenyl)ethanesulfonyl iodide (PubChem CID 155006833) has the molecular formula C8H9IO3S and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethanesulfonyl iodide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethanesulfonyl iodide
PubChem CID155006833
Molecular FormulaC8H9IO3S
Molecular Weight312.13 g/mol
Exact Mass311.93
IUPAC Name2-(4-hydroxyphenyl)ethanesulfonyl iodide
SMILESO=S(=O)(I)CCc1ccc(O)cc1
InChIInChI=1S/C8H9IO3S/c9-13(11,12)6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2
InChIKeyKPWKSZWWWGMCTK-UHFFFAOYSA-N
XLogP1.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylphenyl)sulfonylethyl]phenol
CID 141218535
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
2-(4-hydroxyphenyl)ethylazanium
CID 5249538
4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
CID 167906551
4-(iodomethyl)phenol
CID 11241787
S-[2-(4-hydroxyphenyl)ethyl] ethanethioate
CID 167527713
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
sodium;4-ethylphenol;sulfuric acid
CID 175416212
4-(6-iodohexyl)phenol
CID 23455799
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethanesulfonyl iodide?
The IUPAC name of 2-(4-hydroxyphenyl)ethanesulfonyl iodide (CID 155006833) is 2-(4-hydroxyphenyl)ethanesulfonyl iodide.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethanesulfonyl iodide?
The canonical SMILES for 2-(4-hydroxyphenyl)ethanesulfonyl iodide is O=S(=O)(I)CCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethanesulfonyl iodide?
The InChIKey is KPWKSZWWWGMCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO3S/c9-13(11,12)6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2.
What are the key properties of 2-(4-hydroxyphenyl)ethanesulfonyl iodide?
2-(4-hydroxyphenyl)ethanesulfonyl iodide has a molecular weight of 312.13 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethanesulfonyl iodide is sourced from PubChem (CID 155006833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).