Basic information
- Standard SMILES
Oc1ccc(C=C2c3ccccc3CCc3c(Cl)cccc32)cc1- InChIKey
QKBFCZXOZKZMHS-UHFFFAOYSA-N- Molecular formula
- C22H17ClO
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0967929
Names & identifiers
- Preferred name
- 4-(1-Chloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-phenol
- IUPAC
- 4-[(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
Names & synonyms
SCHEMBL4157481QKBFCZXOZKZMHS-UHFFFAOYSA-N4-(1-Chloro-10,11-dihydro-dibenzo[a,d]cyclohepten-5-ylidenemethyl)-phenol
Database identifiers
- PubChem CID
- 68935582
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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