methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate

C20H24O5S2 — CID 67944579

IUPACmethyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate
SMILESCOC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1OC
InChIInChI=1S/C20H24O5S2/c1-23-14-7-6-8-15(11-14)27-20(16-9-4-5-10-18(16)24-2)17(21)12-26-13-19(22)25-3/h4-11,17,20-21H,12-13H2,1-3H3
InChIKeyMDPZXDXXSBKJCI-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.80
Rot. Bonds10

About methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate

methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate (PubChem CID 67944579) has the molecular formula C20H24O5S2 and a molecular weight of 408.54 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate
PubChem CID67944579
Molecular FormulaC20H24O5S2
Molecular Weight408.54 g/mol
Exact Mass408.11
IUPAC Namemethyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate
SMILESCOC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1OC
InChIInChI=1S/C20H24O5S2/c1-23-14-7-6-8-15(11-14)27-20(16-9-4-5-10-18(16)24-2)17(21)12-26-13-19(22)25-3/h4-11,17,20-21H,12-13H2,1-3H3
InChIKeyMDPZXDXXSBKJCI-UHFFFAOYSA-N
XLogP3.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
CID 15926584
methyl 2-[3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
CID 70396555
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
methyl 2-[3-(3-cyclopentyl-2-phenylmethoxyphenyl)-2-hydroxy-3-(3-methoxyphenyl)sulfanylpropoxy]acetate
CID 67944557
methyl 2-[2-(3-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 62268827
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
CID 117033993
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate (CID 67944579) is methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate is COC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1OC.
What is the InChIKey of methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate?
The InChIKey is MDPZXDXXSBKJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5S2/c1-23-14-7-6-8-15(11-14)27-20(16-9-4-5-10-18(16)24-2)17(21)12-26-13-19(22)25-3/h4-11,17,20-21H,12-13H2,1-3H3.
What are the key properties of methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate?
methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate has a molecular weight of 408.54 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate is sourced from PubChem (CID 67944579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).