methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate

C18H20O6S — CID 146311232

IUPACmethyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1Sc1ccccc1OC
InChIInChI=1S/C18H20O6S/c1-20-12-8-6-7-9-14(12)25-17-11(18(19)24-5)10-13(21-2)15(22-3)16(17)23-4/h6-10H,1-5H3
InChIKeyZWLFKNRAKMOAEC-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.66
Rot. Bonds7

About methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate

methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate (PubChem CID 146311232) has the molecular formula C18H20O6S and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate
PubChem CID146311232
Molecular FormulaC18H20O6S
Molecular Weight364.42 g/mol
Exact Mass364.10
IUPAC Namemethyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cc(OC)c(OC)c(OC)c1Sc1ccccc1OC
InChIInChI=1S/C18H20O6S/c1-20-12-8-6-7-9-14(12)25-17-11(18(19)24-5)10-13(21-2)15(22-3)16(17)23-4/h6-10H,1-5H3
InChIKeyZWLFKNRAKMOAEC-UHFFFAOYSA-N
XLogP3.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-2-methoxy-4-(2-methoxycarbonylphenyl)sulfanylbenzoate
CID 118368546
ethane;methyl 2-methoxybenzoate
CID 178037044
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
CID 81309619
1,3-bis[(2-methoxyphenyl)sulfanyl]urea
CID 123582415
1-[4-amino-3-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 10107352
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate?
The IUPAC name of methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate (CID 146311232) is methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate.
What is the SMILES notation for methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate?
The canonical SMILES for methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate is COC(=O)c1cc(OC)c(OC)c(OC)c1Sc1ccccc1OC.
What is the InChIKey of methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate?
The InChIKey is ZWLFKNRAKMOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6S/c1-20-12-8-6-7-9-14(12)25-17-11(18(19)24-5)10-13(21-2)15(22-3)16(17)23-4/h6-10H,1-5H3.
What are the key properties of methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate?
methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate has a molecular weight of 364.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-trimethoxy-2-(2-methoxyphenyl)sulfanylbenzoate is sourced from PubChem (CID 146311232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).