3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol

C13H16O4S — CID 114518494

IUPAC3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C13H16O4S/c14-13(7-8-18(15,16)9-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12,14H,5-9H2
InChIKeyIIPRNGXKTWLNKS-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.23
Rot. Bonds3

About 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol

3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol (PubChem CID 114518494) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol
PubChem CID114518494
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C13H16O4S/c14-13(7-8-18(15,16)9-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12,14H,5-9H2
InChIKeyIIPRNGXKTWLNKS-UHFFFAOYSA-N
XLogP1.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114518630
3-(3,4-dimethoxyphenyl)-1,1-dioxothiolan-3-ol
CID 55159886
1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
CID 114520395
3-(3-chloro-4-methylphenyl)-1,1-dioxothiolan-3-ol
CID 107559494
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117453560
(4-cyclopropyloxyphenyl)-(1-methylcyclohexyl)methanone
CID 106829738
4-phenoxythiane 1,1-dioxide
CID 141273372
1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol (CID 114518494) is 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(c2ccc(OC3CC3)cc2)C1.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol?
The InChIKey is IIPRNGXKTWLNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c14-13(7-8-18(15,16)9-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12,14H,5-9H2.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol?
3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol has a molecular weight of 268.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 114518494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).