2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene

C8H11NO5S — CID 71162876

IUPAC2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene
SMILESCOc1cc(NS(=O)O)cc(CO)c1O
InChIInChI=1S/C8H11NO5S/c1-14-7-3-6(9-15(12)13)2-5(4-10)8(7)11/h2-3,9-11H,4H2,1H3,(H,12,13)
InChIKeyAOXLSNJABSVIPZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.44
Rot. Bonds4

About 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene

2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene (PubChem CID 71162876) has the molecular formula C8H11NO5S and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene.

Molecular Properties

Compound Name2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene
PubChem CID71162876
Molecular FormulaC8H11NO5S
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene
SMILESCOc1cc(NS(=O)O)cc(CO)c1O
InChIInChI=1S/C8H11NO5S/c1-14-7-3-6(9-15(12)13)2-5(4-10)8(7)11/h2-3,9-11H,4H2,1H3,(H,12,13)
InChIKeyAOXLSNJABSVIPZ-UHFFFAOYSA-N
XLogP0.44
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
2-(hydroxymethyl)-1-(3-methyl-4-methylsulfanylphenoxy)-4-(sulfinoamino)benzene
CID 58129655
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
4-hydrazinyl-2,6-dimethoxyphenol
CID 57195955
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
1-methoxy-4-(2-oxopropyl)-2-(sulfinoamino)benzene
CID 22020329
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene?
The IUPAC name of 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene (CID 71162876) is 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene.
What is the SMILES notation for 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene?
The canonical SMILES for 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene is COc1cc(NS(=O)O)cc(CO)c1O.
What is the InChIKey of 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene?
The InChIKey is AOXLSNJABSVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5S/c1-14-7-3-6(9-15(12)13)2-5(4-10)8(7)11/h2-3,9-11H,4H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene?
2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene has a molecular weight of 233.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(hydroxymethyl)-3-methoxy-5-(sulfinoamino)benzene is sourced from PubChem (CID 71162876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).