2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol

C26H22O4S2 — CID 102103900

IUPAC2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
SMILESCOc1cc(-c2cc(OC)c(Sc3ccccc3)cc2O)c(O)cc1Sc1ccccc1
InChIInChI=1S/C26H22O4S2/c1-29-23-13-19(21(27)15-25(23)31-17-9-5-3-6-10-17)20-14-24(30-2)26(16-22(20)28)32-18-11-7-4-8-12-18/h3-16,27-28H,1-2H3
InChIKeyCSCXCJYLLMRSRF-UHFFFAOYSA-N
MW462.59 g/mol
LogP7.08
Rot. Bonds7

About 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol

2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol (PubChem CID 102103900) has the molecular formula C26H22O4S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
PubChem CID102103900
Molecular FormulaC26H22O4S2
Molecular Weight462.59 g/mol
Exact Mass462.10
IUPAC Name2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol
SMILESCOc1cc(-c2cc(OC)c(Sc3ccccc3)cc2O)c(O)cc1Sc1ccccc1
InChIInChI=1S/C26H22O4S2/c1-29-23-13-19(21(27)15-25(23)31-17-9-5-3-6-10-17)20-14-24(30-2)26(16-22(20)28)32-18-11-7-4-8-12-18/h3-16,27-28H,1-2H3
InChIKeyCSCXCJYLLMRSRF-UHFFFAOYSA-N
XLogP7.08
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 ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethoxy-2-methyl-4-phenylsulfanylbenzene
CID 10515507
3,5-dimethoxy-2-phenylsulfanylphenol
CID 11471007
2-(3,4-dimethoxyphenyl)-4-methyl-6-phenylsulfanylphenol
CID 11725566
1,3,5-trimethoxy-2,4-bis(phenylsulfanyl)benzene
CID 138976814
4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
2-phenylsulfanylnaphthalene-1,4-diol
CID 15508792
4-phenylsulfanyl-3-sulfanyloxyphenol
CID 172565226
(E)-N-(2,5-dimethoxy-4-phenylsulfanylphenyl)-3-phenylprop-2-enamide
CID 110179822
methoxymethane;phenylsulfanylbenzene
CID 175087336
(1S)-1-(2-methoxy-6-phenylsulfanylphenyl)ethanamine
CID 113389113
2-iodo-6-methoxy-1-phenyl-4-phenylmethoxy-7-phenylsulfanylnaphthalene
CID 170035526
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol?
The IUPAC name of 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol (CID 102103900) is 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol?
The canonical SMILES for 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol is COc1cc(-c2cc(OC)c(Sc3ccccc3)cc2O)c(O)cc1Sc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol?
The InChIKey is CSCXCJYLLMRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O4S2/c1-29-23-13-19(21(27)15-25(23)31-17-9-5-3-6-10-17)20-14-24(30-2)26(16-22(20)28)32-18-11-7-4-8-12-18/h3-16,27-28H,1-2H3.
What are the key properties of 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol?
2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol has a molecular weight of 462.59 g/mol, XLogP of 7.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methoxy-4-phenylsulfanylphenyl)-4-methoxy-5-phenylsulfanylphenol is sourced from PubChem (CID 102103900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).