methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate

C17H18O5S — CID 146311234

IUPACmethyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C17H18O5S/c1-19-11-5-7-12(8-6-11)23-16-10-15(21-3)14(20-2)9-13(16)17(18)22-4/h5-10H,1-4H3
InChIKeyOOZATJYHIYQXLY-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.65
Rot. Bonds6

About methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate

methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate (PubChem CID 146311234) has the molecular formula C17H18O5S and a molecular weight of 334.39 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
PubChem CID146311234
Molecular FormulaC17H18O5S
Molecular Weight334.39 g/mol
Exact Mass334.09
IUPAC Namemethyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C17H18O5S/c1-19-11-5-7-12(8-6-11)23-16-10-15(21-3)14(20-2)9-13(16)17(18)22-4/h5-10H,1-4H3
InChIKeyOOZATJYHIYQXLY-UHFFFAOYSA-N
XLogP3.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxycarbonyl-5-(4-methoxyphenyl)sulfanylbenzoic acid
CID 91879038
methyl 5-(2-methoxyethoxy)-2-[4-(2-methoxyethoxy)phenyl]sulfanylbenzoate
CID 130333007
methyl 3-(4-methoxyphenyl)sulfanylbenzoate
CID 101396381
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
CID 114195744
4-ethyl-2-methoxy-1-(4-methoxyphenyl)sulfanylbenzene
CID 91879142
methyl 4-(4-hydroxy-2-methoxyphenyl)sulfanylbenzoate
CID 91879834
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 5-cyano-6-(4-methoxyphenyl)sulfanyl-2-methylpyridine-3-carboxylate
CID 1471657

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate (CID 146311234) is methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate is COC(=O)c1cc(OC)c(OC)cc1Sc1ccc(OC)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate?
The InChIKey is OOZATJYHIYQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5S/c1-19-11-5-7-12(8-6-11)23-16-10-15(21-3)14(20-2)9-13(16)17(18)22-4/h5-10H,1-4H3.
What are the key properties of methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate?
methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate has a molecular weight of 334.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate is sourced from PubChem (CID 146311234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).