2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol

C24H24F2O4S2 — CID 10743276

IUPAC2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Sc2cc(F)c(Sc3ccc(OC(C)C)cc3O)cc2F)c(O)c1
InChIInChI=1S/C24H24F2O4S2/c1-13(2)29-15-5-7-21(19(27)9-15)31-23-11-18(26)24(12-17(23)25)32-22-8-6-16(10-20(22)28)30-14(3)4/h5-14,27-28H,1-4H3
InChIKeyGAKLPZCJZLAXMO-UHFFFAOYSA-N
MW478.58 g/mol
LogP7.25
Rot. Bonds8

About 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol

2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol (PubChem CID 10743276) has the molecular formula C24H24F2O4S2 and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol
PubChem CID10743276
Molecular FormulaC24H24F2O4S2
Molecular Weight478.58 g/mol
Exact Mass478.11
IUPAC Name2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Sc2cc(F)c(Sc3ccc(OC(C)C)cc3O)cc2F)c(O)c1
InChIInChI=1S/C24H24F2O4S2/c1-13(2)29-15-5-7-21(19(27)9-15)31-23-11-18(26)24(12-17(23)25)32-22-8-6-16(10-20(22)28)30-14(3)4/h5-14,27-28H,1-4H3
InChIKeyGAKLPZCJZLAXMO-UHFFFAOYSA-N
XLogP7.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol?
The IUPAC name of 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol (CID 10743276) is 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol.
What is the SMILES notation for 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol?
The canonical SMILES for 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol is CC(C)Oc1ccc(Sc2cc(F)c(Sc3ccc(OC(C)C)cc3O)cc2F)c(O)c1.
What is the InChIKey of 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol?
The InChIKey is GAKLPZCJZLAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O4S2/c1-13(2)29-15-5-7-21(19(27)9-15)31-23-11-18(26)24(12-17(23)25)32-22-8-6-16(10-20(22)28)30-14(3)4/h5-14,27-28H,1-4H3.
What are the key properties of 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol?
2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol has a molecular weight of 478.58 g/mol, XLogP of 7.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-4-(2-hydroxy-4-propan-2-yloxyphenyl)sulfanylphenyl]sulfanyl-5-propan-2-yloxyphenol is sourced from PubChem (CID 10743276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).