4-(1,1-Diethylpropyl)phenol
Basic information
- CAS
37872-24-5- Standard SMILES
CCC(CC)(CC)c1ccc(O)cc1- InChIKey
VTQOBBOXCXWMDE-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 4-(1,1-Diethylpropyl)phenol
- IUPAC
- 4-(3-ethylpentan-3-yl)phenol
- English name
- 4-(1,1-diethylpropyl)phenol
- Molecular formula
- C13H20O
- Molecular weight
- 192.2973
Names & synonyms
4-(1,1-diethylpropyl)phenol37872-24-5DTXSID401029322RefChem:510040DTXCID3015145924-(3-ethylpentan-3-yl)phenolSCHEMBL47045054-(1,1-diethyl-propyl)phenolCHEMBL2313444VTQOBBOXCXWMDE-UHFFFAOYSA-NSBB091495AKOS006330853
Show more names
Phenol, 4-(1,1-diethylpropyl)-
NS00134451AE-562/43287145
Database identifiers
- CAS
37872-24-5- PubChem CID
- 8167160
- DTXSID
DTXSID401029322- ChEMBL
CHEMBL2313444- Nikkaji
- J1.280.229C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
LogP5.03
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Substances of Very High Concern (SVHC) Candidate List
- 4 · 4-(3-ethylpentan-3-yl)phenol (37872-24-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHazard Traits - Endocrine toxicity
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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