1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone

C10H14O2S — CID 105106137

IUPAC1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
SMILESCc1cc(C(=O)COC(C)C)cs1
InChIInChI=1S/C10H14O2S/c1-7(2)12-5-10(11)9-4-8(3)13-6-9/h4,6-7H,5H2,1-3H3
InChIKeyQRTHSVUVAMIPPV-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.66
Rot. Bonds4

About 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone

1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone (PubChem CID 105106137) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
PubChem CID105106137
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone
SMILESCc1cc(C(=O)COC(C)C)cs1
InChIInChI=1S/C10H14O2S/c1-7(2)12-5-10(11)9-4-8(3)13-6-9/h4,6-7H,5H2,1-3H3
InChIKeyQRTHSVUVAMIPPV-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 115785051
2,2-diethoxy-1-(5-methylthiophen-3-yl)ethanone
CID 79495934
1-(4-bromo-3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 114329778
2-hydroxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 103451508
2-methoxy-1-(5-methylthiophen-3-yl)propan-1-one
CID 79617007
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
CID 115019757
2-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116708572
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
2-(aminomethyl)-3-methyl-1-(5-methylthiophen-3-yl)butan-1-one
CID 116574089
2-methyl-3-(methylamino)-1-(5-methylthiophen-3-yl)propan-1-one
CID 116587029
2-amino-4-methyl-1-(5-methylthiophen-3-yl)pentan-1-one
CID 116553665
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone (CID 105106137) is 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone is Cc1cc(C(=O)COC(C)C)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone?
The InChIKey is QRTHSVUVAMIPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(2)12-5-10(11)9-4-8(3)13-6-9/h4,6-7H,5H2,1-3H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone?
1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone has a molecular weight of 198.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105106137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).