Basic information
- CAS
1980-93-4- Standard SMILES
CC1(C)C(C=Cc2ccc(O)cc2)=Nc2ccccc21- InChIKey
CZJQSLCPKVIHSO-UHFFFAOYSA-N- Molecular formula
- C18H17NO
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.13101417
Names & identifiers
- Preferred name
- 4-[2-(3,3-Dimethylindol-2-yl)ethenyl]phenol
- IUPAC
- 4-[2-(3,3-dimethylindol-2-yl)ethenyl]phenol
Names & synonyms
4-[2-(3,3-dimethylindol-2-yl)ethenyl]phenolSCHEMBL9358003CZJQSLCPKVIHSO-UHFFFAOYSA-NDS-0121624-[2-(3,3-Dimethyl-3H-indol-2-yl)ethen-1-yl]phenol
Database identifiers
- CAS
1980-93-4- PubChem CID
- 74796
- DTXSID
DTXSID6062092
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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