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

C25H29NO5S — CID 90707520

IUPAC4-hydroxy-5-[[4-[(6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C25H29NO5S/c1-14-15(2)22-19(16(3)21(14)29-5)10-11-25(4,31-22)13-30-18-8-6-17(7-9-18)12-20-23(27)26-24(28)32-20/h6-9,27H,10-13H2,1-5H3,(H,26,28)
InChIKeyMFAGWSZKNZUAGX-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.83
Rot. Bonds6

About 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

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 (PubChem CID 90707520) has the molecular formula C25H29NO5S and a molecular weight of 455.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[(6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID90707520
Molecular FormulaC25H29NO5S
Molecular Weight455.58 g/mol
Exact Mass455.18
IUPAC Name4-hydroxy-5-[[4-[(6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCOc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C25H29NO5S/c1-14-15(2)22-19(16(3)21(14)29-5)10-11-25(4,31-22)13-30-18-8-6-17(7-9-18)12-20-23(27)26-24(28)32-20/h6-9,27H,10-13H2,1-5H3,(H,26,28)
InChIKeyMFAGWSZKNZUAGX-UHFFFAOYSA-N
XLogP4.83
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-[1-[2-[benzyl-(2-methyl-2-nitrososulfanylpropyl)amino]-2-oxoethyl]cyclopentyl]acetate
CID 91262639
[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
[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]propyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-chlorobenzoate
CID 54522504
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
5-[[4-[3-[[1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-1-hydroxyethyl]amino]propoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 57144439
5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methylimino]-1,3-thiazolidin-4-one
CID 57252598
5-[[4-[[2,5,7,8-tetramethyl-6-(2-oxo-2-piperidin-1-ylethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139636551
butanedioic acid;5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 175538546
5-[[4-[[2,5,7,8-tetramethyl-6-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139636554
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
[2-[[4-[(ethoxycarbonylamino)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] acetate
CID 139881947

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2.
What is the InChIKey of 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?
The InChIKey is MFAGWSZKNZUAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5S/c1-14-15(2)22-19(16(3)21(14)29-5)10-11-25(4,31-22)13-30-18-8-6-17(7-9-18)12-20-23(27)26-24(28)32-20/h6-9,27H,10-13H2,1-5H3,(H,26,28).
What are the key properties of 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?
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 has a molecular weight of 455.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90707520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).