Basic information
- CAS
56291-41-9- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CS1- InChIKey
YHLYCRRAQSELEI-UHFFFAOYSA-N- Molecular formula
- C23H34O2S
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.2279515
Names & identifiers
- Preferred name
- 2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-
- IUPAC
- 1,4,4-trimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol
Names & synonyms
BRN 13265481,2-Dihydro-1,4,4-trimethyl-7-(1,2-dimethylheptyl)-9-hydroxy-4H-thieno(2,3-c)(1)benzopyran56291-41-91,4-Dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-2H-thieno(2,3-c)(1)benzopyran-9-ol2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-RefChem:269261CHEMBL3276132SCHEMBL11792827DTXSID00971726YHLYCRRAQSELEI-UHFFFAOYSA-N1,4,4-Trimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol1,2-dihydro-9-hydroxy-7-(3-methyl-2-octyl)-1,4,4,-trimethyl-4H-thieno[2,3-c][1]benzopyran
Show more names
1,2-dihydro-9-hydroxy-7-(3-methyl-2-octyl)-1,4,4-trimethyl-4H-thieno[2,3-c][1]benzopyran
Database identifiers
- CAS
56291-41-9- PubChem CID
- 3043881
- DTXSID
DTXSID00971726
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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