2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol

C16H18O3S — CID 105092607

IUPAC2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
SMILESO=S1(=O)CCC(CC(O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H18O3S/c17-16(10-12-8-9-20(18,19)11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,16-17H,8-11H2
InChIKeyKCXHCPJRDCLZIE-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.70
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol

2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol (PubChem CID 105092607) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
PubChem CID105092607
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
SMILESO=S1(=O)CCC(CC(O)c2cccc3ccccc23)C1
InChIInChI=1S/C16H18O3S/c17-16(10-12-8-9-20(18,19)11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,16-17H,8-11H2
InChIKeyKCXHCPJRDCLZIE-UHFFFAOYSA-N
XLogP2.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
1-(1,1-dioxothiolan-3-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 47158148
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105087928
1-(3-bromo-2,4-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 103524551
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
2-(1,1-dioxothiolan-3-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 105094959
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
CID 105118989
2-(1,1-dioxothiolan-3-yl)-1-(3-propylphenyl)ethanol
CID 105131014
3-naphthalen-1-yloxythiolane 1,1-dioxide
CID 62113334
2-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 105119761
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol (CID 105092607) is 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol is O=S1(=O)CCC(CC(O)c2cccc3ccccc23)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol?
The InChIKey is KCXHCPJRDCLZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c17-16(10-12-8-9-20(18,19)11-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12,16-17H,8-11H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol?
2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol has a molecular weight of 290.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol is sourced from PubChem (CID 105092607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).