Basic information
- CAS
51028-85-4- Standard SMILES
CCCCOc1cc(C)cc(CC(=O)O)c1- InChIKey
PGXJZASUGQVGNJ-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Acetic acid, (5-butoxy-m-tolyl)-
- IUPAC
- 2-(3-butoxy-5-methylphenyl)acetic acid
- English name
- (5-Butoxy-3-methylphenyl)acetic acid
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
5-Butoxy-m-tolylacetic acid51028-85-4ACETIC ACID, (5-BUTOXY-m-TOLYL)-BRN 2101694DTXSID10199030RefChem:316279DTXCID401215212-(3-butoxy-5-methylphenyl)acetic acidCHEMBL136739(3-BUTOXY-5-METHYLPHENYL)ACETIC ACID(5-Butoxy-3-methylphenyl)acetic acidBenzeneacetic acid, 3-butoxy-5-methyl-
Database identifiers
- CAS
51028-85-4- PubChem CID
- 39872
- DTXSID
DTXSID10199030- ChEMBL
CHEMBL136739- Nikkaji
- J85.203A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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