4-(5-methylthiophen-3-yl)cyclohexan-1-one

C11H14OS — CID 83261016

IUPAC4-(5-methylthiophen-3-yl)cyclohexan-1-one
SMILESCc1cc(C2CCC(=O)CC2)cs1
InChIInChI=1S/C11H14OS/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyQZXNVQFQEHPHMZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.28
Rot. Bonds1

About 4-(5-methylthiophen-3-yl)cyclohexan-1-one

4-(5-methylthiophen-3-yl)cyclohexan-1-one (PubChem CID 83261016) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-(5-methylthiophen-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-methylthiophen-3-yl)cyclohexan-1-one
PubChem CID83261016
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4-(5-methylthiophen-3-yl)cyclohexan-1-one
SMILESCc1cc(C2CCC(=O)CC2)cs1
InChIInChI=1S/C11H14OS/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyQZXNVQFQEHPHMZ-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-3-yl)cyclohexan-1-one?
The IUPAC name of 4-(5-methylthiophen-3-yl)cyclohexan-1-one (CID 83261016) is 4-(5-methylthiophen-3-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-methylthiophen-3-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5-methylthiophen-3-yl)cyclohexan-1-one is Cc1cc(C2CCC(=O)CC2)cs1.
What is the InChIKey of 4-(5-methylthiophen-3-yl)cyclohexan-1-one?
The InChIKey is QZXNVQFQEHPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(5-methylthiophen-3-yl)cyclohexan-1-one?
4-(5-methylthiophen-3-yl)cyclohexan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-3-yl)cyclohexan-1-one is sourced from PubChem (CID 83261016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).