methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate

C19H22O4S2 — CID 15926584

IUPACmethyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
SMILESCOC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H22O4S2/c1-22-15-9-6-10-16(11-15)25-19(14-7-4-3-5-8-14)17(20)12-24-13-18(21)23-2/h3-11,17,19-20H,12-13H2,1-2H3
InChIKeyFCYZDPKBISNXGK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.80
Rot. Bonds9

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

methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate (PubChem CID 15926584) has the molecular formula C19H22O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
PubChem CID15926584
Molecular FormulaC19H22O4S2
Molecular Weight378.52 g/mol
Exact Mass378.10
IUPAC Namemethyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
SMILESCOC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H22O4S2/c1-22-15-9-6-10-16(11-15)25-19(14-7-4-3-5-8-14)17(20)12-24-13-18(21)23-2/h3-11,17,19-20H,12-13H2,1-2H3
InChIKeyFCYZDPKBISNXGK-UHFFFAOYSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-hydroxy-3-(2-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropyl]sulfanylacetate
CID 67944579
methyl 2-[3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
CID 70396555
methyl 2-[2-(3-aminophenyl)-2-hydroxyethyl]sulfanylacetate
CID 62268827
3-(3-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 43538137
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
CID 46210919
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate (CID 15926584) is methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate is COC(=O)CSCC(O)C(Sc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate?
The InChIKey is FCYZDPKBISNXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4S2/c1-22-15-9-6-10-16(11-15)25-19(14-7-4-3-5-8-14)17(20)12-24-13-18(21)23-2/h3-11,17,19-20H,12-13H2,1-2H3.
What are the key properties of methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate?
methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate has a molecular weight of 378.52 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate is sourced from PubChem (CID 15926584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).