ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate

C19H22O4S — CID 22123590

IUPACethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(CSc1cccc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4S/c1-4-23-19(20)18(14-8-10-15(21-2)11-9-14)13-24-17-7-5-6-16(12-17)22-3/h5-12,18H,4,13H2,1-3H3
InChIKeyRBGOTLGTJAAILN-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.14
Rot. Bonds8

About ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate

ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate (PubChem CID 22123590) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
PubChem CID22123590
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Nameethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(CSc1cccc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4S/c1-4-23-19(20)18(14-8-10-15(21-2)11-9-14)13-24-17-7-5-6-16(12-17)22-3/h5-12,18H,4,13H2,1-3H3
InChIKeyRBGOTLGTJAAILN-UHFFFAOYSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
ethyl 3-(dimethylamino)-2-(4-methoxyphenyl)propanoate;hydrochloride
CID 129318515
ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 68832027
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
CID 2746946
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
O-ethyl (3-methoxyphenyl)sulfanylmethanethioate
CID 86037588
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate (CID 22123590) is ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate is CCOC(=O)C(CSc1cccc(OC)c1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate?
The InChIKey is RBGOTLGTJAAILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4S/c1-4-23-19(20)18(14-8-10-15(21-2)11-9-14)13-24-17-7-5-6-16(12-17)22-3/h5-12,18H,4,13H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate?
ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate has a molecular weight of 346.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate is sourced from PubChem (CID 22123590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).