2-[4-(2-Phenylpropan-2-yl)phenoxy]propanoic acid
Basic information
- CAS
70757-66-3- Standard SMILES
CC(Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)O- InChIKey
KXNUIPJWPYXKIL-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 2-[4-(2-Phenylpropan-2-yl)phenoxy]propanoic acid
- IUPAC
- 2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
- English name
- 2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]PROPANOICACID
- Molecular formula
- C18H20O3
- Molecular weight
- 284.35
Names & synonyms
70757-66-32-[4-(1-methyl-1-phenylethyl)phenoxy]propanoic acid2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid2-(4-(2-Phenylpropan-2-yl)phenoxy)propanoic acid2-[4-(1-Methyl-1-phenylethyl)phenoxy]-propanoic acidMFCD03422228Propanoic acid,2-[4-(1-methyl-1-phenylethyl)phenoxy]-NSC523952DTXSID90326100ALBB-000845BBL017254STK442595
Show more names
2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]PROPANOICACIDPropanoic acid, 2-[4-(1-methyl-1-phenylethyl)phenoxy]-2-[4-(1-methyl-1-phenylethyl)phenoxy]propanoic acid(SALTDATA: FREE)
AKOS000127824AKOS017258686NSC-523952VS-05991CS-0317290ST50846257H211442-(4-(2-Phenylpropan-2-yl)phenoxy)propanoicacid
Database identifiers
- CAS
70757-66-3- PubChem CID
- 351902
- DTXSID
DTXSID90326100
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 423.6 · 423.6±33.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…