2-Hydroxy-5-methoxy-3-(2-phenylpropan-2-yl)benzaldehyde

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Basic information

CAS: 278602-34-9
Standard SMILES: COc1cc(C=O)c(O)c(C(C)(C)c2ccccc2)c1
InChIKey: UAFOMWIQGXPHMG-UHFFFAOYSA-N
Molecular formula: C17H18O3
Average molar mass: 270.32 g/mol
Monoisotopic mass: 270.12559443

Names & identifiers

Preferred name: 2-Hydroxy-5-methoxy-3-(2-phenylpropan-2-yl)benzaldehyde
IUPAC: 2-hydroxy-5-methoxy-3-(2-phenylpropan-2-yl)benzaldehyde

Names & synonyms

2-Hydroxy-5-methoxy-3-(2-phenylpropan-2-yl)benzaldehyde278602-34-9DTXSID20624287RefChem:261748DTXCID00575041SCHEMBL64467583-cumyl-5-methoxysalicylaldehydeUAFOMWIQGXPHMG-UHFFFAOYSA-N2-hydroxy-5-methoxy-3-(2-phenylpropan-2-yl)-benzaldehyde

Database identifiers

CAS: 278602-34-9
PubChem CID: 22281118
DTXSID: DTXSID20624287

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 320

Related reactions

1 records

New reaction record

HRID 1062523As productuspto-grants-2005_11

Compound notes

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