p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
Basic information
- CAS
97889-93-5- Standard SMILES
CC(C)(c1ccccc1)c1ccc(OC(=O)O)cc1- InChIKey
UGKSTGOPBDJAGS-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate
- IUPAC
- [4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
- English name
- p-(1-methyl-1-phenylethyl)phenyl hydrogen carbonate
- Molecular formula
- C16H16O3
- Molecular weight
- 256.29644
Names & synonyms
p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate97889-93-5EINECS 308-172-14-(2-phenylpropan-2-yl)phenyl hydrogen carbonateSCHEMBL1031672DTXSID60243330UGKSTGOPBDJAGS-UHFFFAOYSA-NNS00065459EINECS 308-172-1, CID113455, p-(1-Methyl-1-phenylethyl)phenyl hydrogen carbonate, 97889-93-5[4-(2-phenylpropan-2-yl)phenyl] hydrogen carbonateCarbonic acid 4-(1-phenyl-1-methylethyl)phenyl esterCarbonic acid 4-(1-methyl-1-phenylethyl)phenyl ester
Show more names
Carbonic acid hydrogen 4-(1-methyl-1-phenylethyl)phenyl ester
Database identifiers
- CAS
97889-93-5- PubChem CID
- 113455
- DTXSID
DTXSID60243330- EC Number
- 308-172-1
- Nikkaji
- J327.092K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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