(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol

C15H20O3S — CID 116505854

IUPAC(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(C(O)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C15H20O3S/c16-15(14-8-9-19(17,18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2
InChIKeyFGNACTIMKNUHQZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.42
Rot. Bonds3

About (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol

(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol (PubChem CID 116505854) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol
PubChem CID116505854
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol
SMILESO=S1(=O)CCC(C(O)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C15H20O3S/c16-15(14-8-9-19(17,18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2
InChIKeyFGNACTIMKNUHQZ-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol?
The IUPAC name of (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol (CID 116505854) is (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol.
What is the SMILES notation for (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol?
The canonical SMILES for (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol is O=S1(=O)CCC(C(O)c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol?
The InChIKey is FGNACTIMKNUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-15(14-8-9-19(17,18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-7,11,14-16H,1-3,8-10H2.
What are the key properties of (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol?
(4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol has a molecular weight of 280.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(1,1-dioxothiolan-3-yl)methanol is sourced from PubChem (CID 116505854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).