Basic information
- CAS
61827-72-3- Standard SMILES
CC(C)(c1ccccc1)c1ccc(O)c(N=Nc2ccccc2)c1- InChIKey
GVMFWMBAYSJHFF-UHFFFAOYSA-N- Molecular formula
- C21H20N2O
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.15756327
Names & identifiers
- Preferred name
- 4-(1-Methyl-1-phenylethyl)-2-(2-phenyldiazenyl)phenol
- IUPAC
- 2-phenyldiazenyl-4-(2-phenylpropan-2-yl)phenol
- English name
- 4-(1-methyl-1-phenylethyl)-2-(phenylazo)phenol
- Molecular formula
- C21H20N2O
- Molecular weight
- 316.4
Names & synonyms
61827-72-34-(1-Methyl-1-phenylethyl)-2-(2-phenyldiazenyl)phenolRefChem:2866994-(1-Methyl-1-phenylethyl)-2-(phenylazo)phenolEINECS 263-262-7GVMFWMBAYSJHFF-UHFFFAOYSA-NDTXSID001212319DB-304873NS000542472-phenyldiazenyl-4-(2-phenylpropan-2-yl)phenol2-(Phenyldiazenyl)-4-(2-phenylpropan-2-yl)phenolPhenol, 4-(1-methyl-1-phenylethyl)-2-(2-phenyldiazenyl)-
Database identifiers
- CAS
61827-72-3- PubChem CID
- 112752
- DTXSID
DTXSID001212319- EC Number
- 263-262-7
- Nikkaji
- J306.915J
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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