4-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-benzoic acid
Basic information
- CAS
153559-85-4- Standard SMILES
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)C(C)C2(C)C- InChIKey
KNVNYVWRFXGLRO-UHFFFAOYSA-N- Molecular formula
- C24H28O2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.20893013
Names & identifiers
- Preferred name
- 4-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-benzoic acid
- IUPAC
- 4-[1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethenyl]benzoic acid
Names & synonyms
CHEMBL106837SCHEMBL6888572DTXSID3011439914-[1-(1,1,2,3,3,6-Hexamethyl-indan-5-yl)-vinyl]-benzoic acidBDBM50032662153559-85-44-[1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethenyl]benzoic acid4-[1-(2,3-Dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)ethenyl]benzoic acid
Database identifiers
- CAS
153559-85-4- PubChem CID
- 11725331
- DTXSID
DTXSID301143991- ChEMBL
CHEMBL106837
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
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Compound notes
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