2-[2-(4-Benzyloxyphenylethynyl)-4-methoxyphenyl]-6-methoxy-1,2,3,4-tetrahydronaphthalene

HCID 66627273
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Basic information

Standard SMILES
COc1ccc(C2CCc3cc(OC)ccc3C2)c(C#Cc2ccc(OCc3ccccc3)cc2)c1
InChIKey
QFAAQADTMZSMFR-UHFFFAOYSA-N
Molecular formula
C33H30O3
Average molar mass
474.6 g/mol
Monoisotopic mass
474.21949481

Names & identifiers

Preferred name
2-[2-(4-Benzyloxyphenylethynyl)-4-methoxyphenyl]-6-methoxy-1,2,3,4-tetrahydronaphthalene
IUPAC
6-methoxy-2-[4-methoxy-2-[2-(4-phenylmethoxyphenyl)ethynyl]phenyl]-1,2,3,4-tetrahydronaphthalene

Names & synonyms

SCHEMBL228095QFAAQADTMZSMFR-UHFFFAOYSA-N2-[2-(4-benzyloxyphenylethynyl)-4-methoxyphenyl]-6-methoxy-1,2,3,4-tetrahydronaphthalene

Database identifiers

PubChem CID
66627273

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
36

Related reactions

4 records
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Compound notes

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