Completing data — usually done within a minute
Basic information
- CAS
56291-44-2- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)S1- InChIKey
HDPKJWICBWVRGV-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)-2,4,4-trimethyl-
- IUPAC
- 2,4,4-trimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol
Names & synonyms
BRN 13264821,2-Dihydro-7-(1,2-dimethylheptyl)-2,4,4-trimethyl-9-hydroxy-4H-thieno(2,3-c)(1)benzopyran56291-44-21,4-Dihydro-7-(1,2-dimethylheptyl)-2,4,4-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)-2,4,4-trimethyl-RefChem:269263CHEMBL3276133SCHEMBL11794288DTXSID20971728HDPKJWICBWVRGV-UHFFFAOYSA-N2,4,4-Trimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol1,2-Dihydro-2,4,4-trimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4H-thieno-[2,3-c][1]benzopyran
Database identifiers
- CAS
56291-44-2- PubChem CID
- 3043883
- DTXSID
DTXSID20971728- ChEMBL
CHEMBL3276133
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- 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
3 records
Compound notes
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