ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate

C19H22O4S — CID 162356013

IUPACethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
SMILESCCOC(=O)C(SCc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4S/c1-4-23-19(20)18(15-7-11-17(22-3)12-8-15)24-13-14-5-9-16(21-2)10-6-14/h5-12,18H,4,13H2,1-3H3
InChIKeyNHGPHZCECDOUIB-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.24
Rot. Bonds8

About ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate

ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate (PubChem CID 162356013) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
PubChem CID162356013
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Nameethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
SMILESCCOC(=O)C(SCc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H22O4S/c1-4-23-19(20)18(15-7-11-17(22-3)12-8-15)24-13-14-5-9-16(21-2)10-6-14/h5-12,18H,4,13H2,1-3H3
InChIKeyNHGPHZCECDOUIB-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate 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

ethyl 2-[(4-methoxyphenyl)methylsulfanyl]-3-oxopentanoate
CID 139907167
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate
CID 175023703
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
methyl (2S)-2-benzylsulfanyl-2-(4-methylphenyl)acetate
CID 139042093
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl (2R)-3-(dimethylamino)-2-(4-methoxyphenyl)propanoate
CID 76958549
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate (CID 162356013) is ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate is CCOC(=O)C(SCc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate?
The InChIKey is NHGPHZCECDOUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4S/c1-4-23-19(20)18(15-7-11-17(22-3)12-8-15)24-13-14-5-9-16(21-2)10-6-14/h5-12,18H,4,13H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate?
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate has a molecular weight of 346.45 g/mol, XLogP of 4.24, 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)-2-[(4-methoxyphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 162356013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).