1,2-Dihydro-2,2-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4-oxo-4H-thieno-[2,3-c][1] benzopyran

HCID 21520004
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Basic information

Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c3c(c(=O)oc2c1)SC(C)(C)C3
InChIKey
WKFPNWSCWYXXAX-UHFFFAOYSA-N
Molecular formula
C22H30O3S
Average molar mass
374.5 g/mol
Monoisotopic mass
374.19156599

Names & identifiers

Preferred name
1,2-Dihydro-2,2-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4-oxo-4H-thieno-[2,3-c][1] benzopyran
IUPAC
9-hydroxy-2,2-dimethyl-7-(3-methyloctan-2-yl)-1H-thieno[2,3-c]chromen-4-one

Names & synonyms

SCHEMBL11845600WKFPNWSCWYXXAX-UHFFFAOYSA-N1,2-Dihydro-2,2-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4-oxo-4H-thieno-[2,3-c][1] benzopyran

Database identifiers

PubChem CID
21520004

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
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Linked notes

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