methanesulfonic acid;2-methoxyphenol

C8H12O5S — CID 71332079

IUPACmethanesulfonic acid;2-methoxyphenol
SMILESCOc1ccccc1O.CS(=O)(=O)O
InChIInChI=1S/C7H8O2.CH4O3S/c1-9-7-5-3-2-4-6(7)8;1-5(2,3)4/h2-5,8H,1H3;1H3,(H,2,3,4)
InChIKeyUVPOCNWLDQDTBF-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.90
Rot. Bonds1

About methanesulfonic acid;2-methoxyphenol

methanesulfonic acid;2-methoxyphenol (PubChem CID 71332079) has the molecular formula C8H12O5S and a molecular weight of 220.25 g/mol. Its IUPAC name is methanesulfonic acid;2-methoxyphenol.

Molecular Properties

Compound Namemethanesulfonic acid;2-methoxyphenol
PubChem CID71332079
Molecular FormulaC8H12O5S
Molecular Weight220.25 g/mol
Exact Mass220.04
IUPAC Namemethanesulfonic acid;2-methoxyphenol
SMILESCOc1ccccc1O.CS(=O)(=O)O
InChIInChI=1S/C7H8O2.CH4O3S/c1-9-7-5-3-2-4-6(7)8;1-5(2,3)4/h2-5,8H,1H3;1H3,(H,2,3,4)
InChIKeyUVPOCNWLDQDTBF-UHFFFAOYSA-N
XLogP0.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;2-methoxyphenol
CID 172717837
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
2-methoxyphenol;oxalic acid
CID 162319729
formonitrile;2-methoxyphenol
CID 161059546
dichlorotitanium;bis(2-methoxyphenol)
CID 164736686
hydroxy-[(2-methoxyphenyl)methylidene]-methyl-oxo-λ6-sulfane
CID 91116742
CID 174763347
CID 174763347
(2-hydroxyphenyl) methanesulfonate
CID 13248339
2-methoxyphenol;N'-methylethane-1,2-diamine
CID 175514452
1-chloro-2-(2-methoxyphenyl)hydrazine;sulfuric acid
CID 175005689
2-(2-methoxyanilino)benzenesulfonic acid
CID 54523549

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-methoxyphenol?
The IUPAC name of methanesulfonic acid;2-methoxyphenol (CID 71332079) is methanesulfonic acid;2-methoxyphenol.
What is the SMILES notation for methanesulfonic acid;2-methoxyphenol?
The canonical SMILES for methanesulfonic acid;2-methoxyphenol is COc1ccccc1O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-methoxyphenol?
The InChIKey is UVPOCNWLDQDTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.CH4O3S/c1-9-7-5-3-2-4-6(7)8;1-5(2,3)4/h2-5,8H,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-methoxyphenol?
methanesulfonic acid;2-methoxyphenol has a molecular weight of 220.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-methoxyphenol is sourced from PubChem (CID 71332079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).