2-{[4-Methoxy-3,5-di(propan-2-yl)phenyl]carbamoyl}benzoic acid
Basic information
- CAS
7066-59-3- Standard SMILES
COc1c(C(C)C)cc(NC(=O)c2ccccc2C(=O)O)cc1C(C)C- InChIKey
DQGASHDUBSXBFA-UHFFFAOYSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- 2-{[4-Methoxy-3,5-di(propan-2-yl)phenyl]carbamoyl}benzoic acid
- IUPAC
- 2-[[4-methoxy-3,5-di(propan-2-yl)phenyl]carbamoyl]benzoic acid
Names & synonyms
7066-59-3DTXSID904147132-{[4-Methoxy-3,5-di(propan-2-yl)phenyl]carbamoyl}benzoic acidAKOS002783897
Database identifiers
- CAS
7066-59-3- PubChem CID
- 5268908
- DTXSID
DTXSID90414713
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
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Compound notes
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