(4-methoxyphenyl) hydroxymethanesulfonate

C8H10O5S — CID 140999217

IUPAC(4-methoxyphenyl) hydroxymethanesulfonate
SMILESCOc1ccc(OS(=O)(=O)CO)cc1
InChIInChI=1S/C8H10O5S/c1-12-7-2-4-8(5-3-7)13-14(10,11)6-9/h2-5,9H,6H2,1H3
InChIKeyOOGBJRWTVPIZRB-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.35
Rot. Bonds4

About (4-methoxyphenyl) hydroxymethanesulfonate

(4-methoxyphenyl) hydroxymethanesulfonate (PubChem CID 140999217) has the molecular formula C8H10O5S and a molecular weight of 218.23 g/mol. Its IUPAC name is (4-methoxyphenyl) hydroxymethanesulfonate.

Molecular Properties

Compound Name(4-methoxyphenyl) hydroxymethanesulfonate
PubChem CID140999217
Molecular FormulaC8H10O5S
Molecular Weight218.23 g/mol
Exact Mass218.02
IUPAC Name(4-methoxyphenyl) hydroxymethanesulfonate
SMILESCOc1ccc(OS(=O)(=O)CO)cc1
InChIInChI=1S/C8H10O5S/c1-12-7-2-4-8(5-3-7)13-14(10,11)6-9/h2-5,9H,6H2,1H3
InChIKeyOOGBJRWTVPIZRB-UHFFFAOYSA-N
XLogP0.35
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl) hydroxymethanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
CID 71390856
(4-methoxyphenyl) 2,3-dichloropropane-1-sulfonate
CID 13193334
(4-bromophenyl) ethanesulfonate
CID 130733749
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
(4-methoxyphenoxy)-(4-methoxyphenyl)-oxo-sulfanylidene-λ6-sulfane
CID 102121635
(4-methoxyphenyl) (1-ethoxycyclobutyl)methanesulfonate
CID 126828201
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
methyl 4-[(4-methoxycarbonylphenoxy)sulfonylmethylsulfonyloxy]benzoate
CID 91711137
(4-methoxyphenoxy)methanol
CID 20580272
(4-methoxyphenyl)methanol
CID 7738
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) hydroxymethanesulfonate?
The IUPAC name of (4-methoxyphenyl) hydroxymethanesulfonate (CID 140999217) is (4-methoxyphenyl) hydroxymethanesulfonate.
What is the SMILES notation for (4-methoxyphenyl) hydroxymethanesulfonate?
The canonical SMILES for (4-methoxyphenyl) hydroxymethanesulfonate is COc1ccc(OS(=O)(=O)CO)cc1.
What is the InChIKey of (4-methoxyphenyl) hydroxymethanesulfonate?
The InChIKey is OOGBJRWTVPIZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5S/c1-12-7-2-4-8(5-3-7)13-14(10,11)6-9/h2-5,9H,6H2,1H3.
What are the key properties of (4-methoxyphenyl) hydroxymethanesulfonate?
(4-methoxyphenyl) hydroxymethanesulfonate has a molecular weight of 218.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) hydroxymethanesulfonate is sourced from PubChem (CID 140999217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).