1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol

C12H16O4S — CID 54914608

IUPAC1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16O4S/c1-9(13)11-4-2-3-5-12(11)16-10-6-7-17(14,15)8-10/h2-5,9-10,13H,6-8H2,1H3
InChIKeyMYIUSXTVIAVBMT-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.31
Rot. Bonds3

About 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol

1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol (PubChem CID 54914608) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
PubChem CID54914608
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
SMILESCC(O)c1ccccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16O4S/c1-9(13)11-4-2-3-5-12(11)16-10-6-7-17(14,15)8-10/h2-5,9-10,13H,6-8H2,1H3
InChIKeyMYIUSXTVIAVBMT-UHFFFAOYSA-N
XLogP1.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanol
CID 55246678
(1R)-1-[4-bromo-2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 102948735
N-[[2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]-2-methylpropan-1-amine
CID 63056818
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
3-naphthalen-1-yloxythiolane 1,1-dioxide
CID 62113334
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
CID 83381393
(1R)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanol
CID 78999226
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanamine
CID 55246862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol (CID 54914608) is 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol is CC(O)c1ccccc1OC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol?
The InChIKey is MYIUSXTVIAVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-9(13)11-4-2-3-5-12(11)16-10-6-7-17(14,15)8-10/h2-5,9-10,13H,6-8H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol?
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol has a molecular weight of 256.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 54914608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).