2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol

C26H22O4S2 — CID 161150699

IUPAC2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2cccc(SSc3cccc(-c4ccc(OC)cc4)c3O)c2O)cc1
InChIInChI=1S/C26H22O4S2/c1-29-19-13-9-17(10-14-19)21-5-3-7-23(25(21)27)31-32-24-8-4-6-22(26(24)28)18-11-15-20(30-2)16-12-18/h3-16,27-28H,1-2H3
InChIKeyUOQFHZPRFBIYCR-UHFFFAOYSA-N
MW462.59 g/mol
LogP7.25
Rot. Bonds7

About 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol

2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol (PubChem CID 161150699) has the molecular formula C26H22O4S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
PubChem CID161150699
Molecular FormulaC26H22O4S2
Molecular Weight462.59 g/mol
Exact Mass462.10
IUPAC Name2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
SMILESCOc1ccc(-c2cccc(SSc3cccc(-c4ccc(OC)cc4)c3O)c2O)cc1
InChIInChI=1S/C26H22O4S2/c1-29-19-13-9-17(10-14-19)21-5-3-7-23(25(21)27)31-32-24-8-4-6-22(26(24)28)18-11-15-20(30-2)16-12-18/h3-16,27-28H,1-2H3
InChIKeyUOQFHZPRFBIYCR-UHFFFAOYSA-N
XLogP7.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
CID 175811193
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
5-(4-methoxyphenyl)naphthalen-2-ol
CID 142144023
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol?
The IUPAC name of 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol (CID 161150699) is 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol is COc1ccc(-c2cccc(SSc3cccc(-c4ccc(OC)cc4)c3O)c2O)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol?
The InChIKey is UOQFHZPRFBIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4S2/c1-29-19-13-9-17(10-14-19)21-5-3-7-23(25(21)27)31-32-24-8-4-6-22(26(24)28)18-11-15-20(30-2)16-12-18/h3-16,27-28H,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol?
2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol has a molecular weight of 462.59 g/mol, XLogP of 7.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol is sourced from PubChem (CID 161150699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).