2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol

C31H44O2 — CID 58803758

IUPAC2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)CC)c2O)C2CC=C(C)C2)c1O
InChIInChI=1S/C31H44O2/c1-10-30(6,7)25-17-20(4)15-23(28(25)32)27(22-13-12-19(3)14-22)24-16-21(5)18-26(29(24)33)31(8,9)11-2/h12,15-18,22,27,32-33H,10-11,13-14H2,1-9H3
InChIKeyUGAKFCVGEUCIAS-UHFFFAOYSA-N
MW448.69 g/mol
LogP8.58
Rot. Bonds7

About 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol

2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol (PubChem CID 58803758) has the molecular formula C31H44O2 and a molecular weight of 448.69 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol
PubChem CID58803758
Molecular FormulaC31H44O2
Molecular Weight448.69 g/mol
Exact Mass448.33
IUPAC Name2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)CC)c2O)C2CC=C(C)C2)c1O
InChIInChI=1S/C31H44O2/c1-10-30(6,7)25-17-20(4)15-23(28(25)32)27(22-13-12-19(3)14-22)24-16-21(5)18-26(29(24)33)31(8,9)11-2/h12,15-18,22,27,32-33H,10-11,13-14H2,1-9H3
InChIKeyUGAKFCVGEUCIAS-UHFFFAOYSA-N
XLogP8.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)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 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol (CID 58803758) is 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(C)cc(C(c2cc(C)cc(C(C)(C)CC)c2O)C2CC=C(C)C2)c1O.
What is the InChIKey of 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol?
The InChIKey is UGAKFCVGEUCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O2/c1-10-30(6,7)25-17-20(4)15-23(28(25)32)27(22-13-12-19(3)14-22)24-16-21(5)18-26(29(24)33)31(8,9)11-2/h12,15-18,22,27,32-33H,10-11,13-14H2,1-9H3.
What are the key properties of 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol?
2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol has a molecular weight of 448.69 g/mol, XLogP of 8.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-(3-methylcyclopent-3-en-1-yl)methyl]-4-methyl-6-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 58803758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).