4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol

C11H14O4S — CID 60879724

IUPAC4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
SMILESCc1ccccc1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H14O4S/c1-8-4-2-3-5-10(8)15-11-7-16(13,14)6-9(11)12/h2-5,9,11-12H,6-7H2,1H3
InChIKeyAOYUYGMOHLFCDL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.53
Rot. Bonds2

About 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol

4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol (PubChem CID 60879724) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
PubChem CID60879724
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol
SMILESCc1ccccc1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C11H14O4S/c1-8-4-2-3-5-10(8)15-11-7-16(13,14)6-9(11)12/h2-5,9,11-12H,6-7H2,1H3
InChIKeyAOYUYGMOHLFCDL-UHFFFAOYSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 60885090
4-(2-methyl-3-nitrophenoxy)-1,1-dioxothiolan-3-ol
CID 60880094
4-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 60884883
4-(2,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
CID 60878407
5-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 65454441
2-chloro-6-(4-hydroxy-1,1-dioxothiolan-3-yl)oxybenzaldehyde
CID 60885910
4-(3,5-dimethylphenoxy)-1,1-dioxothiolan-3-ol
CID 60878976
(3S,4S)-4-(2-methylphenoxy)oxolan-3-ol
CID 155905989
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1,1-dioxothiolan-3-ol
CID 79156861
1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone
CID 63069387
3-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-6-methylpyridine-2-carbaldehyde
CID 79156842
3-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-6-methylpyridine-2-carboxylic acid
CID 79158865

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol (CID 60879724) is 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol is Cc1ccccc1OC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is AOYUYGMOHLFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-8-4-2-3-5-10(8)15-11-7-16(13,14)6-9(11)12/h2-5,9,11-12H,6-7H2,1H3.
What are the key properties of 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol?
4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 242.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60879724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).