4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol

C15H18O6S4 — CID 87133267

IUPAC4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol
SMILESCOCOc1ccc(C2(O)C(S)=C(S)OC(S)=C2S)c(OCOC)c1
InChIInChI=1S/C15H18O6S4/c1-17-6-19-8-3-4-9(10(5-8)20-7-18-2)15(16)11(22)13(24)21-14(25)12(15)23/h3-5,16,22-25H,6-7H2,1-2H3
InChIKeyHGBVLJGHCJZQOS-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.93
Rot. Bonds7

About 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol

4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol (PubChem CID 87133267) has the molecular formula C15H18O6S4 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol.

Molecular Properties

Compound Name4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol
PubChem CID87133267
Molecular FormulaC15H18O6S4
Molecular Weight422.57 g/mol
Exact Mass422.00
IUPAC Name4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol
SMILESCOCOc1ccc(C2(O)C(S)=C(S)OC(S)=C2S)c(OCOC)c1
InChIInChI=1S/C15H18O6S4/c1-17-6-19-8-3-4-9(10(5-8)20-7-18-2)15(16)11(22)13(24)21-14(25)12(15)23/h3-5,16,22-25H,6-7H2,1-2H3
InChIKeyHGBVLJGHCJZQOS-UHFFFAOYSA-N
XLogP2.93
TPSA66.38 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
CID 66744767
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
1,4-bis(methoxymethoxy)benzene
CID 542643
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
[[2,5-bis(methoxymethoxy)phenyl]-methoxymethylidene]chromium;carbon monoxide
CID 14327199
4-bromobenzene-1,3-diol;1-bromo-2,4-bis(methoxymethoxy)benzene
CID 157301717
methyl 3-[2,4-bis(methoxymethoxy)phenyl]prop-2-ynoate
CID 134859376
[4-(methoxymethoxy)-2-propoxyphenyl]boronic acid
CID 141056028
3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-[4-methoxy-2-(methoxymethoxy)phenyl]-6-propoxyindene-2-carboxylic acid
CID 18427705
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
(1S,2S)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[4-(methoxymethoxy)phenyl]propane-1,2-diol
CID 10993232

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol?
The IUPAC name of 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol (CID 87133267) is 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol.
What is the SMILES notation for 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol?
The canonical SMILES for 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol is COCOc1ccc(C2(O)C(S)=C(S)OC(S)=C2S)c(OCOC)c1.
What is the InChIKey of 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol?
The InChIKey is HGBVLJGHCJZQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6S4/c1-17-6-19-8-3-4-9(10(5-8)20-7-18-2)15(16)11(22)13(24)21-14(25)12(15)23/h3-5,16,22-25H,6-7H2,1-2H3.
What are the key properties of 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol?
4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol has a molecular weight of 422.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol is sourced from PubChem (CID 87133267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).