[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid

HCID 10134883

Basic information

Standard SMILES
CC1(C)CC(C)(C)c2cc(C#Cc3ccc(CC(=O)O)cc3)cc(C3CC3)c2O1
InChIKey
FKURZNWAFOUMKK-UHFFFAOYSA-N
Molecular formula
C26H28O3
Average molar mass
388.5 g/mol

Names & identifiers

Preferred name
[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid
IUPAC
2-[4-[2-(8-cyclopropyl-2,2,4,4-tetramethyl-3H-chromen-6-yl)ethynyl]phenyl]acetic acid

Names & synonyms

SCHEMBL5736403FKURZNWAFOUMKK-UHFFFAOYSA-N[4-(8 -Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl] acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl) phenyl]acetic Acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl] acetic acid[4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)phenyl]acetic acid

Database identifiers

PubChem CID
10134883

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

Related reactions

16 records

Compound notes

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