Completing data — refresh the page later to see the latest
Basic information
- CAS
88579-29-7- Standard SMILES
C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCO2- InChIKey
DFQLRIXABZAEHT-WYMLVPIESA-N- Molecular formula
- C21H22O3
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.15689456
Names & identifiers
- Preferred name
- (E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acid
- IUPAC
- 4-[(E)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)prop-1-enyl]benzoic acid
Names & synonyms
SR 3994(E)-p-(2-(4,4-Dimethylchroman-6-yl)propenyl)benzoic acidCHEMBL21518(E)-4-(2-(3,4-Dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-1-propenyl)benzoic acidBenzoic acid, 4-(2-(3,4-dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)-1-propenyl)-, (E)-88579-29-7SCHEMBL7829468DFQLRIXABZAEHT-WYMLVPIESA-NBDBM500669054-[2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid4-[(E)-2-(4,4-Dimethyl-6-chromanyl)-2-methylvinyl]benzoic Acid
Show more names
p-[(E)-2-(3,4-dihydro-4,4-dimethyl-2H-1-benzopyran-6-yl)propenyl]benzoic acid
Database identifiers
- CAS
88579-29-7- PubChem CID
- 6366138
- ChEMBL
CHEMBL21518- Nikkaji
- J606.558I
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
5 records
Compound notes
Loading…