4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethvnyl)-benzoic acid

HCID 9969656

Basic information

Standard SMILES
CC1(C)CC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)cc(C3CC3)c2O1
InChIKey
QELVCKRITXHFTQ-UHFFFAOYSA-N
Molecular formula
C25H26O3
Average molar mass
374.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL5735668QELVCKRITXHFTQ-UHFFFAOYSA-N4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethvnyl)-benzoic acid4-(8-Cyclopropyl-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)-benzoic acid

Database identifiers

PubChem CID
9969656

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
28

Related reactions

16 records

Compound notes

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