4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methane

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Basic information

Standard SMILES: COc1ccc(Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIKey: QQEICWBYUTVTEA-UHFFFAOYSA-N
Molecular formula: C17H20O4
Average molar mass: 288.34 g/mol
Monoisotopic mass: 288.13615911

Names & identifiers

Preferred name: 4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methane
IUPAC: 1,2,3-trimethoxy-5-[(4-methoxyphenyl)methyl]benzene

Names & synonyms

NSC638484Neuro_000295CHEMBL295663SCHEMBL9183359QQEICWBYUTVTEA-UHFFFAOYSA-NNSC-638484NCI60_012869(4-Methoxyphenyl)-(3,5-trimethoxyphenyl)methane4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methane

Database identifiers

PubChem CID: 368141
ChEMBL: CHEMBL295663
Nikkaji: J490.024C

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 275

Related reactions

2 records

New reaction record

HRID 1236660As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1647312As productuspto-grants-1995_07

Compound notes

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