2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol

C25H33NO2 — CID 54225549

IUPAC2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol
SMILESCC1=CC(C)(C)Nc2c(C)c(C)c(-c3c(C)c(C)c(C)c(C)c3O)c(CO)c21
InChIInChI=1S/C25H33NO2/c1-12-10-25(8,9)26-23-17(6)16(5)21(19(11-27)20(12)23)22-15(4)13(2)14(3)18(7)24(22)28/h10,26-28H,11H2,1-9H3
InChIKeyQFPCGGUFICLCRE-UHFFFAOYSA-N
MW379.54 g/mol
LogP6.01
Rot. Bonds2

About 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol

2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol (PubChem CID 54225549) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol
PubChem CID54225549
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol
SMILESCC1=CC(C)(C)Nc2c(C)c(C)c(-c3c(C)c(C)c(C)c(C)c3O)c(CO)c21
InChIInChI=1S/C25H33NO2/c1-12-10-25(8,9)26-23-17(6)16(5)21(19(11-27)20(12)23)22-15(4)13(2)14(3)18(7)24(22)28/h10,26-28H,11H2,1-9H3
InChIKeyQFPCGGUFICLCRE-UHFFFAOYSA-N
XLogP6.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol?
The IUPAC name of 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol (CID 54225549) is 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol?
The canonical SMILES for 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol is CC1=CC(C)(C)Nc2c(C)c(C)c(-c3c(C)c(C)c(C)c(C)c3O)c(CO)c21.
What is the InChIKey of 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol?
The InChIKey is QFPCGGUFICLCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-12-10-25(8,9)26-23-17(6)16(5)21(19(11-27)20(12)23)22-15(4)13(2)14(3)18(7)24(22)28/h10,26-28H,11H2,1-9H3.
What are the key properties of 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol?
2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol has a molecular weight of 379.54 g/mol, XLogP of 6.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2,2,4,7,8-pentamethyl-1H-quinolin-6-yl]-3,4,5,6-tetramethylphenol is sourced from PubChem (CID 54225549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).