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

C24H27NO5S — CID 54215402

IUPAC4-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
SMILESCC(C)c1cc2c(cc1O)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C24H27NO5S/c1-14(2)18-12-20-16(11-19(18)26)8-9-24(3,30-20)13-29-17-6-4-15(5-7-17)10-21-22(27)25-23(28)31-21/h4-7,11-12,14,26-27H,8-10,13H2,1-3H3,(H,25,28)
InChIKeyPYVBIIQQJFAZNK-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.72
Rot. Bonds6

About 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

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 (PubChem CID 54215402) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID54215402
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC Name4-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
SMILESCC(C)c1cc2c(cc1O)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
InChIInChI=1S/C24H27NO5S/c1-14(2)18-12-20-16(11-19(18)26)8-9-24(3,30-20)13-29-17-6-4-15(5-7-17)10-21-22(27)25-23(28)31-21/h4-7,11-12,14,26-27H,8-10,13H2,1-3H3,(H,25,28)
InChIKeyPYVBIIQQJFAZNK-UHFFFAOYSA-N
XLogP4.72
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc2c(cc1O)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2.
What is the InChIKey of 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?
The InChIKey is PYVBIIQQJFAZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-14(2)18-12-20-16(11-19(18)26)8-9-24(3,30-20)13-29-17-6-4-15(5-7-17)10-21-22(27)25-23(28)31-21/h4-7,11-12,14,26-27H,8-10,13H2,1-3H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 441.55 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54215402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).