propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate

C12H16O3S — CID 60704324

IUPACpropan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OC(C)C)cc1
InChIInChI=1S/C12H16O3S/c1-9(2)15-12(13)8-16-11-6-4-10(14-3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyRZLZKDGBMYZZGS-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.74
Rot. Bonds5

About propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate

propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 60704324) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
PubChem CID60704324
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Namepropan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OC(C)C)cc1
InChIInChI=1S/C12H16O3S/c1-9(2)15-12(13)8-16-11-6-4-10(14-3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyRZLZKDGBMYZZGS-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550531
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548776
propan-2-yl 2-(4-nitrophenyl)sulfanylacetate
CID 15013409
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999030
propan-2-yl 4-[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate
CID 8551114
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 46629577
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8999033
propan-2-yl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
CID 864465
propan-2-yl 2-(4-pentanoylphenyl)sulfanylacetate
CID 82164765
propan-2-yl 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102603006
propan-2-yl 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 3609183

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate (CID 60704324) is propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate is COc1ccc(SCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is RZLZKDGBMYZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9(2)15-12(13)8-16-11-6-4-10(14-3)5-7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate?
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 240.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 60704324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).