4-(1-adamantyl)phenol

Synonyms: "4-(adamantan-1-yl)phenol", "1-(4-hydroxyphenyl)adamantane", "4-adamantan-1-ylphenol", "4-(1-adamantyl)-phenol"

Source: 4-(1-adamantyl)phenol is used as a industrial additive.

Identifiers:

IUPAC Name: 4-(1-adamantyl)phenol
CAS Number: 29799-07-3
PubChem ID: 269933
InChiKey: KZMYFIUFUAOZHP-UHFFFAOYSA-N
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)O

Structural Properties:

Molecular Formula: C₁₆H₂₀O
Molecular Weight: 228.329

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schultz TW, Sinks GD, Cronin MTD. 2000. Effect of substituent size and dimensionality on potency of phenolic xenoestrogens evaluated with a recombinant yeast assay. Environ Toxicol Chem 19(11):2637-2642.