1,2,3,4-Tetrahydro-5-chrysenemethanol
Basic information
- CAS
71431-98-6- Standard SMILES
OCc1cc2ccccc2c2ccc3c(c12)CCCC3- InChIKey
NRZIEUIDKYNGIR-UHFFFAOYSA-N- Molecular formula
- C19H18O
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13576519
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-5-chrysenemethanol
- IUPAC
- 1,2,3,4-tetrahydrochrysen-5-ylmethanol
Names & synonyms
71431-98-6BRN 21352541,2,3,4-Tetrahydro-5-chrysenemethanol5-(Hydroxymethyl)-1,2,3,4-tetrahydrochrysene5-CHRYSENEMETHANOL, 1,2,3,4-TETRAHYDRO-(1,2,3,4-Tetrahydrochrysen-5-yl)methanolCHEMBL3230490SCHEMBL27409389SCHEMBL28787864DTXSID00991808
Database identifiers
- CAS
71431-98-6- PubChem CID
- 51318
- DTXSID
DTXSID00991808- ChEMBL
CHEMBL3230490- Nikkaji
- J75.140E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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