4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol

C12H16O6S — CID 60884886

IUPAC4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol
SMILESCOc1cccc(CO)c1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C12H16O6S/c1-17-10-4-2-3-8(5-13)12(10)18-11-7-19(15,16)6-9(11)14/h2-4,9,11,13-14H,5-7H2,1H3
InChIKeyVVCRNPJFDULSSH-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.28
Rot. Bonds4

About 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol

4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol (PubChem CID 60884886) has the molecular formula C12H16O6S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol
PubChem CID60884886
Molecular FormulaC12H16O6S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol
SMILESCOc1cccc(CO)c1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C12H16O6S/c1-17-10-4-2-3-8(5-13)12(10)18-11-7-19(15,16)6-9(11)14/h2-4,9,11,13-14H,5-7H2,1H3
InChIKeyVVCRNPJFDULSSH-UHFFFAOYSA-N
XLogP-0.28
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol 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-[2-(hydroxymethyl)-5-methoxyphenoxy]-1,1-dioxothiolan-3-ol
CID 61268867
4-[4-fluoro-2-(hydroxymethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 107698615
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 104664417
4-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-1,1-dioxothiolan-3-ol
CID 112620953
4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
CID 60879724
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1,1-dioxothiolan-3-ol
CID 79156861
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
[2-(hydroxymethyl)-6-methoxyphenyl] dihydrogen phosphate
CID 23585992
4-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 60887150
1,1-dioxo-4-(2-propan-2-ylphenoxy)thiolan-3-ol
CID 60880293
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol (CID 60884886) is 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol is COc1cccc(CO)c1OC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol?
The InChIKey is VVCRNPJFDULSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6S/c1-17-10-4-2-3-8(5-13)12(10)18-11-7-19(15,16)6-9(11)14/h2-4,9,11,13-14H,5-7H2,1H3.
What are the key properties of 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol?
4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol has a molecular weight of 288.32 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methoxyphenoxy]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60884886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).