4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoylthiomethyl)benzoic acid

HCID 21474500

Basic information

Standard SMILES
CC1(C)CCC(C)(C)c2cc(C(=O)SCc3ccc(C(=O)O)cc3)ccc21
InChIKey
SWWIDFAILXRNQD-UHFFFAOYSA-N
Molecular formula
C23H26O3S
Average molar mass
382.5 g/mol

Names & identifiers

Preferred name
4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoylthiomethyl)benzoic acid
IUPAC
4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)sulfanylmethyl]benzoic acid

Names & synonyms

SCHEMBL8839140SWWIDFAILXRNQD-UHFFFAOYSA-N4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl -2-naphthoylthiomethyl)benzoic acid4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoyl thiomethyl)benzoic acid4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoylthiomethyl)benzoic acid

Database identifiers

PubChem CID
21474500

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

5 records

Compound notes

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