1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol

C13H18O4S — CID 64904593

IUPAC1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18O4S/c1-17-13-5-3-2-4-10(13)8-12(14)11-6-7-18(15,16)9-11/h2-5,11-12,14H,6-9H2,1H3
InChIKeyBPWPILQKOWXKOJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.03
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol

1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol (PubChem CID 64904593) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
PubChem CID64904593
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18O4S/c1-17-13-5-3-2-4-10(13)8-12(14)11-6-7-18(15,16)9-11/h2-5,11-12,14H,6-9H2,1H3
InChIKeyBPWPILQKOWXKOJ-UHFFFAOYSA-N
XLogP1.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
CID 93318970
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
1-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794224
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
1-cyclopropyl-3-(2-methoxyphenyl)propane-1,2-diol
CID 103456984
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
2-(2,5-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336404
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336371
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461707
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
3-[1-chloro-3-(5-chloro-2-methoxyphenyl)propan-2-yl]thiolane 1,1-dioxide
CID 66035987

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol (CID 64904593) is 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol is COc1ccccc1CC(O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol?
The InChIKey is BPWPILQKOWXKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-17-13-5-3-2-4-10(13)8-12(14)11-6-7-18(15,16)9-11/h2-5,11-12,14H,6-9H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol?
1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol has a molecular weight of 270.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-2-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 64904593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).