(2-hydroxyphenyl) methanesulfonate

C7H8O4S — CID 13248339

IUPAC(2-hydroxyphenyl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C7H8O4S/c1-12(9,10)11-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyCIMCLQVPRYEIOM-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.73
Rot. Bonds2

About (2-hydroxyphenyl) methanesulfonate

(2-hydroxyphenyl) methanesulfonate (PubChem CID 13248339) has the molecular formula C7H8O4S and a molecular weight of 188.20 g/mol. Its IUPAC name is (2-hydroxyphenyl) methanesulfonate.

Molecular Properties

Compound Name(2-hydroxyphenyl) methanesulfonate
PubChem CID13248339
Molecular FormulaC7H8O4S
Molecular Weight188.20 g/mol
Exact Mass188.01
IUPAC Name(2-hydroxyphenyl) methanesulfonate
SMILESCS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C7H8O4S/c1-12(9,10)11-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyCIMCLQVPRYEIOM-UHFFFAOYSA-N
XLogP0.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
(2-hydroxyphenyl) N,N-dimethylsulfamate
CID 86147551
methanesulfonic acid;2-methoxyphenol
CID 71332079
(5-methylsulfonyloxynaphthalen-1-yl) methanesulfonate
CID 7314056
[2,3-bis(methylsulfonyloxy)phenyl] methanesulfonate
CID 159669792
[2-[(2-methylsulfonyloxyphenyl)disulfanyl]phenyl] methanesulfonate
CID 87179343
methyl-(2-methylsulfonyloxyphenyl)carbamic acid
CID 154249562
methyl 2-(2-methylsulfonyloxyphenyl)acetate
CID 140986015
[2-(2-phenylphenyl)phenyl] methanesulfonate
CID 174491818
[2-[9-(2-methylsulfonyloxyphenyl)fluoren-9-yl]phenyl] methanesulfonate
CID 18368776
(2-acetyl-3-methoxyphenyl) methanesulfonate
CID 100978812
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) methanesulfonate?
The IUPAC name of (2-hydroxyphenyl) methanesulfonate (CID 13248339) is (2-hydroxyphenyl) methanesulfonate.
What is the SMILES notation for (2-hydroxyphenyl) methanesulfonate?
The canonical SMILES for (2-hydroxyphenyl) methanesulfonate is CS(=O)(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) methanesulfonate?
The InChIKey is CIMCLQVPRYEIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S/c1-12(9,10)11-7-5-3-2-4-6(7)8/h2-5,8H,1H3.
What are the key properties of (2-hydroxyphenyl) methanesulfonate?
(2-hydroxyphenyl) methanesulfonate has a molecular weight of 188.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) methanesulfonate is sourced from PubChem (CID 13248339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).