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: 228,3294

Pharmacophore Features:

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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

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.

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