5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one

C37H26O7S6 — CID 86582075

IUPAC5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc2)oc2cc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc(O)c12
InChIInChI=1S/C37H26O7S6/c38-29-17-28(43-16-15-42-27-11-5-24(6-12-27)34-21-36(46)50-48-34)18-32-37(29)30(39)19-31(44-32)22-1-7-25(8-2-22)40-13-14-41-26-9-3-23(4-10-26)33-20-35(45)49-47-33/h1-12,17-21,38H,13-16H2
InChIKeyCUUOWOABJFJFSX-UHFFFAOYSA-N
MW775.01 g/mol
LogP11.12
Rot. Bonds13

About 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one

5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one (PubChem CID 86582075) has the molecular formula C37H26O7S6 and a molecular weight of 775.01 g/mol. Its IUPAC name is 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
PubChem CID86582075
Molecular FormulaC37H26O7S6
Molecular Weight775.01 g/mol
Exact Mass774.00
IUPAC Name5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc2)oc2cc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc(O)c12
InChIInChI=1S/C37H26O7S6/c38-29-17-28(43-16-15-42-27-11-5-24(6-12-27)34-21-36(46)50-48-34)18-32-37(29)30(39)19-31(44-32)22-1-7-25(8-2-22)40-13-14-41-26-9-3-23(4-10-26)33-20-35(45)49-47-33/h1-12,17-21,38H,13-16H2
InChIKeyCUUOWOABJFJFSX-UHFFFAOYSA-N
XLogP11.12
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 511.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one with MolForge

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Related Compounds

7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
sodium 2-hydroxy-5-(5-hydroxy-4-oxo-7-propoxychromen-2-yl)phenolate
CID 177001497
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 159103073
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5-hydroxy-2-[4-[2-[2-[2-[2-[4-[5-hydroxy-7-(methoxymethoxy)-4-oxo-1H-naphthalen-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-7-(methoxymethoxy)chromen-4-one
CID 24887162
7-chloro-5-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
CID 177372719

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one?
The IUPAC name of 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one (CID 86582075) is 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one is O=c1cc(-c2ccc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc2)oc2cc(OCCOc3ccc(-c4cc(=S)ss4)cc3)cc(O)c12.
What is the InChIKey of 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one?
The InChIKey is CUUOWOABJFJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O7S6/c38-29-17-28(43-16-15-42-27-11-5-24(6-12-27)34-21-36(46)50-48-34)18-32-37(29)30(39)19-31(44-32)22-1-7-25(8-2-22)40-13-14-41-26-9-3-23(4-10-26)33-20-35(45)49-47-33/h1-12,17-21,38H,13-16H2.
What are the key properties of 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one?
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one has a molecular weight of 775.01 g/mol, XLogP of 11.12, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 86582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).