Methyl 3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionate

HCID 20165247

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Basic information

CAS
109276-49-5
Standard SMILES
COC(=O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIKey
PBENZTNORUMLOJ-UHFFFAOYSA-N
Molecular formula
C22H32O3
Average molar mass
344.5 g/mol
Monoisotopic mass
344.23514488

Names & identifiers

Preferred name
Methyl 3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionate
IUPAC
methyl 3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoate

Names & synonyms

SCHEMBL4050039PBENZTNORUMLOJ-UHFFFAOYSA-NDTXSID001229104Methyl 3,5-dicyclohexyl-4-hydroxybenzenepropanoatemethyl 3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionate109276-49-5Methyl 3-(2~2~-hydroxy-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,3~1~,3~2~,3~3~,3~4~,3~5~,3~6~-dodecahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~5~-yl)propanoate

Database identifiers

CAS
109276-49-5
PubChem CID
20165247
DTXSID
DTXSID001229104

Properties

Computed structural propertiesFilling in

XLogP
6.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
25

Related reactions

4 records

Compound notes

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