4-[3-Oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid

HCID 54528150

Basic information

Standard SMILES
CC1(C)CC=C(c2cccs2)c2ccc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc21
InChIKey
YUOUDEXGOMBAIH-UHFFFAOYSA-N
Molecular formula
C26H22O3S
Average molar mass
414.5 g/mol
Monoisotopic mass
414.12896573

Names & identifiers

Preferred name
4-[3-Oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid
IUPAC
4-[3-(8,8-dimethyl-5-thiophen-2-yl-7H-naphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid

Names & synonyms

4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl)-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenyl]-benzoic acidSCHEMBL6293847YUOUDEXGOMBAIH-UHFFFAOYSA-N4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl) -1-propenyl]-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8,8-dimethyl-2-naphthalenyl)-1-propenvl]-benzoic acid4-[3-oxo-3-(7,8-dihydro-5-(2-thienyl)-8.8-dimethyl-2-naphthalenyl) - 1-propenyl]-benzoic acid

Database identifiers

PubChem CID
54528150

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

Related reactions

18 records

Compound notes

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