(3-phenoxyphenyl)methyl Adamantane-1-carboxylate

HCID 185239

Notes Reactions

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Basic information

CAS: 93107-39-2
Standard SMILES: O=C(OCc1cccc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2
InChIKey: XKDDIFWVDDRIOK-UHFFFAOYSA-N
Molecular formula: C24H26O3
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.18819469

Names & identifiers

Preferred name: (3-phenoxyphenyl)methyl Adamantane-1-carboxylate
IUPAC: (3-phenoxyphenyl)methyl adamantane-1-carboxylate

Names & synonyms

93107-39-2Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, (3-phenoxyphenyl)methyl(3-phenoxyphenyl)methyl Adamantane-1-carboxylateDTXSID50239287XKDDIFWVDDRIOK-UHFFFAOYSA-N3-phenoxybenzyl tricyclo[3.3.1.13,7 ]decane-1-carboxylate

Database identifiers

CAS: 93107-39-2
PubChem CID: 185239
DTXSID: DTXSID50239287

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 494

Related reactions

2 records

New reaction record

HRID 214717As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 371063As productuspto-grants-1985_07

Compound notes

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