amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol

C10H15NO5S — CID 116939710

IUPACamino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
SMILESCOc1cc(S(C)(=O)=O)c(OC)cc1C(N)O
InChIInChI=1S/C10H15NO5S/c1-15-7-5-9(17(3,13)14)8(16-2)4-6(7)10(11)12/h4-5,10,12H,11H2,1-3H3
InChIKeyWEZFRBHQOPYAEI-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.06
Rot. Bonds4

About amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol

amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol (PubChem CID 116939710) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Nameamino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
PubChem CID116939710
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Nameamino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
SMILESCOc1cc(S(C)(=O)=O)c(OC)cc1C(N)O
InChIInChI=1S/C10H15NO5S/c1-15-7-5-9(17(3,13)14)8(16-2)4-6(7)10(11)12/h4-5,10,12H,11H2,1-3H3
InChIKeyWEZFRBHQOPYAEI-UHFFFAOYSA-N
XLogP0.06
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4,5-dimethoxy-2-methylsulfonylphenyl)ethanol
CID 117440336
2-(2,5-dimethoxy-4-methylsulfonylphenyl)propanenitrile
CID 116835790
1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370203
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
2-hydroxy-2-(5-methoxy-4-methyl-2-methylsulfonylphenyl)acetic acid
CID 117438166
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,5-dimethoxy-4-methylsulfonylphenyl)methylhydrazine
CID 116932374
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637

Frequently Asked Questions

What is the IUPAC name of amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol?
The IUPAC name of amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol (CID 116939710) is amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol.
What is the SMILES notation for amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol?
The canonical SMILES for amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol is COc1cc(S(C)(=O)=O)c(OC)cc1C(N)O.
What is the InChIKey of amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol?
The InChIKey is WEZFRBHQOPYAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-15-7-5-9(17(3,13)14)8(16-2)4-6(7)10(11)12/h4-5,10,12H,11H2,1-3H3.
What are the key properties of amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol?
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol has a molecular weight of 261.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 116939710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).