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5-(1-Phenylpropyl)-benzofuran

HCID 58415356
NotesReactions
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Basic information

Standard SMILES
CCC(c1ccccc1)c1ccc2occc2c1
InChIKey
MGEMTBMDGDNERE-UHFFFAOYSA-N
Molecular formula
C17H16O
Average molar mass
236.31 g/mol

Names & identifiers

Preferred name
5-(1-Phenylpropyl)-benzofuran
IUPAC
5-(1-phenylpropyl)-1-benzofuran

Names & synonyms

5-(1-phenylpropyl)-benzofuranSCHEMBL1601396MGEMTBMDGDNERE-UHFFFAOYSA-N

Database identifiers

PubChem CID
58415356

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
13.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
256

Related reactions

2 records
New reaction record
HRID 165534 reaction equation
HRID 165534As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2075211 reaction equation
HRID 2075211As productuspto-grants-2011_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes