Octadecyl 3-(4-hydroxyphenyl)propanoate

HCID 577646

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Basic information

CAS: 42933-23-3
Standard SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(O)cc1
InChIKey: OBYWBISWWBUSET-UHFFFAOYSA-N
Molecular formula: C27H46O3
Average molar mass: 418.7 g/mol
Monoisotopic mass: 418.34469533

Names & identifiers

Preferred name: Octadecyl 3-(4-hydroxyphenyl)propanoate
IUPAC: octadecyl 3-(4-hydroxyphenyl)propanoate

Names & synonyms

Octadecyl 3-(4-hydroxyphenyl)propanoateSCHEMBL2728741OBYWBISWWBUSET-UHFFFAOYSA-NDTXSID50101666342933-23-3Octadecyl 3-(4'-hydroxyphenyl)propanoateOctadecyl 3-(4-hydroxyphenyl)propanoate #

Database identifiers

CAS: 42933-23-3
PubChem CID: 577646
DTXSID: DTXSID501016663

Properties

Computed structural properties

XLogP: 10.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 21
Heavy atoms: 30
Formal charge: 0
Complexity: 374

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