2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone

C14H18OS — CID 105081689

IUPAC2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCSC2)cc1
InChIInChI=1S/C14H18OS/c1-2-11-3-5-12(6-4-11)9-14(15)13-7-8-16-10-13/h3-6,13H,2,7-10H2,1H3
InChIKeyFNGOXLUPNDYSDN-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone

2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone (PubChem CID 105081689) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
PubChem CID105081689
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCSC2)cc1
InChIInChI=1S/C14H18OS/c1-2-11-3-5-12(6-4-11)9-14(15)13-7-8-16-10-13/h3-6,13H,2,7-10H2,1H3
InChIKeyFNGOXLUPNDYSDN-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone (CID 105081689) is 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone is CCc1ccc(CC(=O)C2CCSC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone?
The InChIKey is FNGOXLUPNDYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-2-11-3-5-12(6-4-11)9-14(15)13-7-8-16-10-13/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone?
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone has a molecular weight of 234.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 105081689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).