[4-(1-Methyl-1-phenylethyl)phenoxy]acetic acid
Basic information
- CAS
70757-61-8- Standard SMILES
CC(C)(c1ccccc1)c1ccc(OCC(=O)O)cc1- InChIKey
FHCJMUZSWRNFNA-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- [4-(1-Methyl-1-phenylethyl)phenoxy]acetic acid
- IUPAC
- 2-[4-(2-phenylpropan-2-yl)phenoxy]acetic acid
- English name
- [4-(1-Methyl-1-phenylethyl)phenoxy]acetic acid
- Molecular formula
- C17H18O3
- Molecular weight
- 270.32
Names & synonyms
70757-61-8[4-(1-methyl-1-phenylethyl)phenoxy]acetic acid2-(4-(2-phenylpropan-2-yl)phenoxy)acetic acid2-[4-(2-phenylpropan-2-yl)phenoxy]acetic AcidMFCD00423397[4-(2-phenylpropan-2-yl)phenoxy]acetic acid2-[4-(1-methyl-1-phenylethyl)phenoxy]acetic acidOprea1_329306AURORA 6872DTXSID50991015AKOS B013822ART-CHEM-BB B013822
Show more names
ST0299002-[4-(2-phenylpropan-2-yl)phenoxy]ethanoic acid
CHEMBRDG-BB 3013822ALBB-000815AKOS BBS-00007697BBL016387SBB043451STK208481AKOS000125605FM112689
Database identifiers
- CAS
70757-61-8- PubChem CID
- 727490
- DTXSID
DTXSID50991015
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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Related reactions
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Compound notes
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