2,6-bis(1-adamantyl)phenol

C26H34O — CID 14169592

IUPAC2,6-bis(1-adamantyl)phenol
SMILESOc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2
InChIKeyRVGLAAAOBCAPHM-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.33
Rot. Bonds2

About 2,6-bis(1-adamantyl)phenol

2,6-bis(1-adamantyl)phenol (PubChem CID 14169592) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2,6-bis(1-adamantyl)phenol.

Molecular Properties

Compound Name2,6-bis(1-adamantyl)phenol
PubChem CID14169592
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name2,6-bis(1-adamantyl)phenol
SMILESOc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2
InChIKeyRVGLAAAOBCAPHM-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-bis(1-adamantyl)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 2,6-bis(1-adamantyl)phenol?
The IUPAC name of 2,6-bis(1-adamantyl)phenol (CID 14169592) is 2,6-bis(1-adamantyl)phenol.
What is the SMILES notation for 2,6-bis(1-adamantyl)phenol?
The canonical SMILES for 2,6-bis(1-adamantyl)phenol is Oc1c(C23CC4CC(CC(C4)C2)C3)cccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2,6-bis(1-adamantyl)phenol?
The InChIKey is RVGLAAAOBCAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c27-24-22(25-10-16-4-17(11-25)6-18(5-16)12-25)2-1-3-23(24)26-13-19-7-20(14-26)9-21(8-19)15-26/h1-3,16-21,27H,4-15H2.
What are the key properties of 2,6-bis(1-adamantyl)phenol?
2,6-bis(1-adamantyl)phenol has a molecular weight of 362.56 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-adamantyl)phenol is sourced from PubChem (CID 14169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).