(2-iodo-4-methylsulfonylphenyl)methanol

C8H9IO3S — CID 168954797

IUPAC(2-iodo-4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(CO)c(I)c1
InChIInChI=1S/C8H9IO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3
InChIKeyKDCPOTRKIGOPDJ-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.19
Rot. Bonds2

About (2-iodo-4-methylsulfonylphenyl)methanol

(2-iodo-4-methylsulfonylphenyl)methanol (PubChem CID 168954797) has the molecular formula C8H9IO3S and a molecular weight of 312.13 g/mol. Its IUPAC name is (2-iodo-4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2-iodo-4-methylsulfonylphenyl)methanol
PubChem CID168954797
Molecular FormulaC8H9IO3S
Molecular Weight312.13 g/mol
Exact Mass311.93
IUPAC Name(2-iodo-4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(CO)c(I)c1
InChIInChI=1S/C8H9IO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3
InChIKeyKDCPOTRKIGOPDJ-UHFFFAOYSA-N
XLogP1.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.19
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

(2-amino-4-methylsulfonylphenyl)methanol
CID 139269655
methyl 2-iodo-4-methylsulfonylbenzoate
CID 66877977
2-(2-hydroxypropyl)-5-methylsulfonylphenol
CID 117332645
1-iodo-4-methylsulfonyl-2-propan-2-ylbenzene
CID 166662852
2-[2-(ethylamino)-4-methylsulfonylphenyl]ethanol
CID 70333749
2-iodo-6-methyl-4-methylsulfonylphenol
CID 126611860
2-amino-3-(2-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117396432
N-[5-methylsulfonyl-2-(2-oxoethyl)phenyl]acetamide
CID 87204195
2-(4-methylsulfonyl-2-nitrophenyl)acetic acid
CID 26967608
4-(2-methyl-4-methylsulfonylphenyl)butanoic acid
CID 117394411
1-[2,4-bis(methylsulfonyl)phenyl]pentan-2-one
CID 63199103
1-(2-chloro-5-methylsulfonylphenyl)propan-2-one
CID 117369319

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methylsulfonylphenyl)methanol?
The IUPAC name of (2-iodo-4-methylsulfonylphenyl)methanol (CID 168954797) is (2-iodo-4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (2-iodo-4-methylsulfonylphenyl)methanol?
The canonical SMILES for (2-iodo-4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(CO)c(I)c1.
What is the InChIKey of (2-iodo-4-methylsulfonylphenyl)methanol?
The InChIKey is KDCPOTRKIGOPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-4,10H,5H2,1H3.
What are the key properties of (2-iodo-4-methylsulfonylphenyl)methanol?
(2-iodo-4-methylsulfonylphenyl)methanol has a molecular weight of 312.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 168954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).