Acetic acid, 3-isopropyl-5-methoxyphenyl-
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Basic information
- CAS
51028-84-3- Standard SMILES
COc1cc(CC(=O)O)cc(C(C)C)c1- InChIKey
QNAQRLMGXWACIL-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Acetic acid, 3-isopropyl-5-methoxyphenyl-
- IUPAC
- 2-(3-methoxy-5-propan-2-ylphenyl)acetic acid
- English name
- 3-Isopropyl-5-methoxyphenylacetic acid
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
51028-84-33-Isopropyl-5-methoxyphenylacetic acidBRN 2110406ACETIC ACID, 3-ISOPROPYL-5-METHOXYPHENYL-DTXSID00199029RefChem:316530DTXCID801215202-(3-methoxy-5-propan-2-ylphenyl)acetic acidCHEMBL136508[3-Methoxy-5-(propan-2-yl)phenyl]acetic acidBenzeneacetic acid, 3-methoxy-5-(1-methylethyl)-
Database identifiers
- CAS
51028-84-3- PubChem CID
- 39871
- DTXSID
DTXSID00199029- ChEMBL
CHEMBL136508- Nikkaji
- J86.230D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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