2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol

C24H23FO4S2 — CID 10575874

IUPAC2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Sc2cc3c(cc2F)Sc2ccc(OC(C)C)cc2O3)c(O)c1
InChIInChI=1S/C24H23FO4S2/c1-13(2)27-15-5-7-21(18(26)9-15)30-23-12-20-24(11-17(23)25)31-22-8-6-16(28-14(3)4)10-19(22)29-20/h5-14,26H,1-4H3
InChIKeyUQRITGYCQWHCKO-UHFFFAOYSA-N
MW458.58 g/mol
LogP7.51
Rot. Bonds6

About 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol

2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol (PubChem CID 10575874) has the molecular formula C24H23FO4S2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol.

Molecular Properties

Compound Name2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol
PubChem CID10575874
Molecular FormulaC24H23FO4S2
Molecular Weight458.58 g/mol
Exact Mass458.10
IUPAC Name2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Sc2cc3c(cc2F)Sc2ccc(OC(C)C)cc2O3)c(O)c1
InChIInChI=1S/C24H23FO4S2/c1-13(2)27-15-5-7-21(18(26)9-15)30-23-12-20-24(11-17(23)25)31-22-8-6-16(28-14(3)4)10-19(22)29-20/h5-14,26H,1-4H3
InChIKeyUQRITGYCQWHCKO-UHFFFAOYSA-N
XLogP7.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol?
The IUPAC name of 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol (CID 10575874) is 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol.
What is the SMILES notation for 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol?
The canonical SMILES for 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol is CC(C)Oc1ccc(Sc2cc3c(cc2F)Sc2ccc(OC(C)C)cc2O3)c(O)c1.
What is the InChIKey of 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol?
The InChIKey is UQRITGYCQWHCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO4S2/c1-13(2)27-15-5-7-21(18(26)9-15)30-23-12-20-24(11-17(23)25)31-22-8-6-16(28-14(3)4)10-19(22)29-20/h5-14,26H,1-4H3.
What are the key properties of 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol?
2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol has a molecular weight of 458.58 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-7-propan-2-yloxyphenoxathiin-3-yl)sulfanyl-5-propan-2-yloxyphenol is sourced from PubChem (CID 10575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).