4-Hydroxy-3,5-dimethylphenyl benzoate

HCID 239104CAS 15770-88-4

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Basic information

Standard SMILES: Cc1cc(OC(=O)c2ccccc2)cc(C)c1O
InChIKey: IAMGWSKZBAUVET-UHFFFAOYSA-N
Molecular formula: C15H14O3
Average molar mass: 242.27 g/mol
Monoisotopic mass: 242.09429431

Names & identifiers

Preferred name: 4-Hydroxy-3,5-dimethylphenyl benzoate
IUPAC: (4-hydroxy-3,5-dimethylphenyl) benzoate

Names & synonyms

15770-88-44-hydroxy-3,5-dimethylphenyl benzoateNSC43901SCHEMBL77050904-benzoyloxy-2,6-dimethylphenolDTXSID40935781IAMGWSKZBAUVET-UHFFFAOYSA-NNSC-43901

Database identifiers

CAS: 15770-88-4
PubChem CID: 239104
DTXSID: DTXSID40935781

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 271

Related reactions

2 records

New reaction record

HRID 277639As productuspto-grants-2002_03

HRID 2343377As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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