2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-2,4,4-trimethyl-

HCID 3043883

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

Related reactions

3 records

Compound notes

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