4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C26H31NO6S — CID 90834823

IUPAC4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1c(C)c2c(c(C)c1O)OCC(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)(CC(C)C)O2
InChIInChI=1S/C26H31NO6S/c1-14(2)11-26(13-32-22-17(5)21(28)15(3)16(4)23(22)33-26)12-31-19-8-6-18(7-9-19)10-20-24(29)27-25(30)34-20/h6-9,14,28-29H,10-13H2,1-5H3,(H,27,30)
InChIKeyJDGDYSYMAAOZPA-UHFFFAOYSA-N
MW485.60 g/mol
LogP5.00
Rot. Bonds7

About 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 90834823) has the molecular formula C26H31NO6S and a molecular weight of 485.60 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID90834823
Molecular FormulaC26H31NO6S
Molecular Weight485.60 g/mol
Exact Mass485.19
IUPAC Name4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1c(C)c2c(c(C)c1O)OCC(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)(CC(C)C)O2
InChIInChI=1S/C26H31NO6S/c1-14(2)11-26(13-32-22-17(5)21(28)15(3)16(4)23(22)33-26)12-31-19-8-6-18(7-9-19)10-20-24(29)27-25(30)34-20/h6-9,14,28-29H,10-13H2,1-5H3,(H,27,30)
InChIKeyJDGDYSYMAAOZPA-UHFFFAOYSA-N
XLogP5.00
TPSA101.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-hydroxy-5-[[4-[(6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90707520
[6-acetyloxy-2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-4-yl] benzoate
CID 54260265
4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-7-propan-2-yl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54215402
5-[[4-[(7-tert-butyl-6-hydroxy-4-oxo-2-propan-2-yl-3H-chromen-2-yl)methoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54538354
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
4-hydroxy-5-[[4-[(6-hydroxy-2-methyl-4-oxo-7-propyl-3H-chromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54108007
[4-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 54388556
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058
5-[[4-[2-[1,3-benzoxazol-2-yl(propan-2-yl)amino]ethoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54223202

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 90834823) is 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is Cc1c(C)c2c(c(C)c1O)OCC(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)(CC(C)C)O2.
What is the InChIKey of 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JDGDYSYMAAOZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO6S/c1-14(2)11-26(13-32-22-17(5)21(28)15(3)16(4)23(22)33-26)12-31-19-8-6-18(7-9-19)10-20-24(29)27-25(30)34-20/h6-9,14,28-29H,10-13H2,1-5H3,(H,27,30).
What are the key properties of 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 485.60 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[[6-hydroxy-5,7,8-trimethyl-2-(2-methylpropyl)-3H-1,4-benzodioxin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90834823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).