methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate

C17H18O4S — CID 132582668

IUPACmethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
SMILESCOC(=O)C(Sc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O4S/c1-19-13-6-4-12(5-7-13)16(17(18)21-3)22-15-10-8-14(20-2)9-11-15/h4-11,16H,1-3H3
InChIKeyJLUDGQVOLKCZRM-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.71
Rot. Bonds6

About methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate

methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 132582668) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
PubChem CID132582668
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
SMILESCOC(=O)C(Sc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O4S/c1-19-13-6-4-12(5-7-13)16(17(18)21-3)22-15-10-8-14(20-2)9-11-15/h4-11,16H,1-3H3
InChIKeyJLUDGQVOLKCZRM-UHFFFAOYSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetylsulfanyl-2-(4-methoxyphenyl)acetate
CID 10934044
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
methyl 2-(3,5-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetate
CID 175604387
methyl 2-(4-methoxyphenyl)-2-(2-nitrophenyl)sulfanylacetate
CID 101383623
cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
CID 175065739
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
CID 88961149
CID 88961149
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate (CID 132582668) is methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate is COC(=O)C(Sc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is JLUDGQVOLKCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4S/c1-19-13-6-4-12(5-7-13)16(17(18)21-3)22-15-10-8-14(20-2)9-11-15/h4-11,16H,1-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate?
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 318.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 132582668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).