4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol

C30H40O2 — CID 68862913

IUPAC4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)C3CC4CC(C3)CC2C4)ccc1O
InChIInChI=1S/C30H40O2/c1-18(2)9-22-16-24(5-7-28(22)31)30(25-6-8-29(32)23(17-25)10-19(3)4)26-12-20-11-21(14-26)15-27(30)13-20/h5-8,16-21,26-27,31-32H,9-15H2,1-4H3
InChIKeyCYPGOHISDSAIER-UHFFFAOYSA-N
MW432.65 g/mol
LogP7.24
Rot. Bonds6

About 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol

4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol (PubChem CID 68862913) has the molecular formula C30H40O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol
PubChem CID68862913
Molecular FormulaC30H40O2
Molecular Weight432.65 g/mol
Exact Mass432.30
IUPAC Name4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)C3CC4CC(C3)CC2C4)ccc1O
InChIInChI=1S/C30H40O2/c1-18(2)9-22-16-24(5-7-28(22)31)30(25-6-8-29(32)23(17-25)10-19(3)4)26-12-20-11-21(14-26)15-27(30)13-20/h5-8,16-21,26-27,31-32H,9-15H2,1-4H3
InChIKeyCYPGOHISDSAIER-UHFFFAOYSA-N
XLogP7.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)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-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol?
The IUPAC name of 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol (CID 68862913) is 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol?
The canonical SMILES for 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol is CC(C)Cc1cc(C2(c3ccc(O)c(CC(C)C)c3)C3CC4CC(C3)CC2C4)ccc1O.
What is the InChIKey of 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol?
The InChIKey is CYPGOHISDSAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40O2/c1-18(2)9-22-16-24(5-7-28(22)31)30(25-6-8-29(32)23(17-25)10-19(3)4)26-12-20-11-21(14-26)15-27(30)13-20/h5-8,16-21,26-27,31-32H,9-15H2,1-4H3.
What are the key properties of 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol?
4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol has a molecular weight of 432.65 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-3-(2-methylpropyl)phenyl]-2-adamantyl]-2-(2-methylpropyl)phenol is sourced from PubChem (CID 68862913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).