(4-cyclobutylphenyl)-(thiolan-2-yl)methanone

C15H18OS — CID 116505684

IUPAC(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)C1CCCS1
InChIInChI=1S/C15H18OS/c16-15(14-5-2-10-17-14)13-8-6-12(7-9-13)11-3-1-4-11/h6-9,11,14H,1-5,10H2
InChIKeyZJEMKLJZKARZCZ-UHFFFAOYSA-N
MW246.37 g/mol
LogP4.03
Rot. Bonds3

About (4-cyclobutylphenyl)-(thiolan-2-yl)methanone

(4-cyclobutylphenyl)-(thiolan-2-yl)methanone (PubChem CID 116505684) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
PubChem CID116505684
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)C1CCCS1
InChIInChI=1S/C15H18OS/c16-15(14-5-2-10-17-14)13-8-6-12(7-9-13)11-3-1-4-11/h6-9,11,14H,1-5,10H2
InChIKeyZJEMKLJZKARZCZ-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(thiolan-2-yl)methanone (CID 116505684) is (4-cyclobutylphenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(thiolan-2-yl)methanone is O=C(c1ccc(C2CCC2)cc1)C1CCCS1.
What is the InChIKey of (4-cyclobutylphenyl)-(thiolan-2-yl)methanone?
The InChIKey is ZJEMKLJZKARZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-15(14-5-2-10-17-14)13-8-6-12(7-9-13)11-3-1-4-11/h6-9,11,14H,1-5,10H2.
What are the key properties of (4-cyclobutylphenyl)-(thiolan-2-yl)methanone?
(4-cyclobutylphenyl)-(thiolan-2-yl)methanone has a molecular weight of 246.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 116505684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).