Ethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro 4,4-dimethyl-anthracen-8-yl]-benzoate

HCID 18620054

Basic information

Standard SMILES
CCOC(=O)c1ccc(-c2cccc3cc4c(cc23)C(c2ccc(C)s2)=CCC4(C)C)cc1
InChIKey
DHPKIXVUTOFVGG-UHFFFAOYSA-N
Molecular formula
C30H28O2S
Average molar mass
452.6 g/mol

Names & identifiers

Preferred name
Ethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro 4,4-dimethyl-anthracen-8-yl]-benzoate
IUPAC
ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoate

Names & synonyms

SCHEMBL5326962DHPKIXVUTOFVGG-UHFFFAOYSA-Nethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro 4,4-dimethyl-anthracen-8-yl]-benzoateethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro-4,4-dimethyl-anthracen-8-yl]-benzoate

Database identifiers

PubChem CID
18620054

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
33

Related reactions

9 records

Linked notes

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