4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol

C25H30O3 — CID 22601831

IUPAC4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
SMILESCc1cc(Cc2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccccc1
InChIInChI=1S/C19H24O2.C6H6O/c1-10-7-16(12(3)14(5)18(10)20)9-17-8-11(2)19(21)15(6)13(17)4;7-6-4-2-1-3-5-6/h7-8,20-21H,9H2,1-6H3;1-5,7H
InChIKeyYOQIWHDRFMDHBA-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.93
Rot. Bonds2

About 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol

4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol (PubChem CID 22601831) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
PubChem CID22601831
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
SMILESCc1cc(Cc2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccccc1
InChIInChI=1S/C19H24O2.C6H6O/c1-10-7-16(12(3)14(5)18(10)20)9-17-8-11(2)19(21)15(6)13(17)4;7-6-4-2-1-3-5-6/h7-8,20-21H,9H2,1-6H3;1-5,7H
InChIKeyYOQIWHDRFMDHBA-UHFFFAOYSA-N
XLogP5.93
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol?
The IUPAC name of 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol (CID 22601831) is 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol.
What is the SMILES notation for 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol?
The canonical SMILES for 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol is Cc1cc(Cc2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccccc1.
What is the InChIKey of 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol?
The InChIKey is YOQIWHDRFMDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2.C6H6O/c1-10-7-16(12(3)14(5)18(10)20)9-17-8-11(2)19(21)15(6)13(17)4;7-6-4-2-1-3-5-6/h7-8,20-21H,9H2,1-6H3;1-5,7H.
What are the key properties of 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol?
4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol has a molecular weight of 378.51 g/mol, XLogP of 5.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol is sourced from PubChem (CID 22601831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).