Phenylmethyl 2-hydroxy-4-(methoxymethoxy)-6-methylbenzoate

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Basic information

CAS: 869996-17-8
Standard SMILES: COCOc1cc(C)c(C(=O)OCc2ccccc2)c(O)c1
InChIKey: YKKNTPGOHFYOJV-UHFFFAOYSA-N
Molecular formula: C17H18O5
Average molar mass: 302.32 g/mol
Monoisotopic mass: 302.11542367

Names & identifiers

Preferred name: Phenylmethyl 2-hydroxy-4-(methoxymethoxy)-6-methylbenzoate
IUPAC: benzyl 2-hydroxy-4-(methoxymethoxy)-6-methylbenzoate

Names & synonyms

SCHEMBL31638781Phenylmethyl 2-hydroxy-4-(methoxymethoxy)-6-methylbenzoateDTXSID001191858869996-17-8benzyl 2-hydroxy-4-(methoxymethoxy)-6-methylbenzoate

Database identifiers

CAS: 869996-17-8
PubChem CID: 11616426
DTXSID: DTXSID001191858

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 65 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 340

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