2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium

C17H19O2Pr- — CID 58841766

IUPAC2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium
SMILESCc1cc(C)c(O)c([CH-]c2cc(C)cc(C)c2O)c1.[Pr]
InChIInChI=1S/C17H19O2.Pr/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19;/h5-9,18-19H,1-4H3;/q-1;
InChIKeyHMKFZGUZXZPLLG-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.93
Rot. Bonds2

About 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium

2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium (PubChem CID 58841766) has the molecular formula C17H19O2Pr- and a molecular weight of 396.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium.

Molecular Properties

Compound Name2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium
PubChem CID58841766
Molecular FormulaC17H19O2Pr-
Molecular Weight396.25 g/mol
Exact Mass396.05
IUPAC Name2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium
SMILESCc1cc(C)c(O)c([CH-]c2cc(C)cc(C)c2O)c1.[Pr]
InChIInChI=1S/C17H19O2.Pr/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19;/h5-9,18-19H,1-4H3;/q-1;
InChIKeyHMKFZGUZXZPLLG-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium 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 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium?
The IUPAC name of 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium (CID 58841766) is 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium.
What is the SMILES notation for 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium?
The canonical SMILES for 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium is Cc1cc(C)c(O)c([CH-]c2cc(C)cc(C)c2O)c1.[Pr].
What is the InChIKey of 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium?
The InChIKey is HMKFZGUZXZPLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2.Pr/c1-10-5-12(3)16(18)14(7-10)9-15-8-11(2)6-13(4)17(15)19;/h5-9,18-19H,1-4H3;/q-1;.
What are the key properties of 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium?
2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium has a molecular weight of 396.25 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol;praseodymium is sourced from PubChem (CID 58841766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).