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(6-Ethoxy-benzofuran-3-yl)-methanol

HCID 67360905
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOc1ccc2c(CO)coc2c1
InChIKey
PERINALYHLZBOM-UHFFFAOYSA-N
Molecular formula
C11H12O3
Average molar mass
192.21 g/mol

Names & identifiers

Preferred name
(6-Ethoxy-benzofuran-3-yl)-methanol
IUPAC
(6-ethoxy-1-benzofuran-3-yl)methanol

Names & synonyms

(6-Ethoxy-benzofuran-3-yl)-methanolSCHEMBL2315412PERINALYHLZBOM-UHFFFAOYSA-N

Database identifiers

PubChem CID
67360905

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
42.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
183

Related reactions

3 records
New reaction record
HRID 1145195 reaction equation
HRID 1145195As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1804790 reaction equation
HRID 1804790As productuspto-grants-2013_01
HRID 1804791 reaction equation
HRID 1804791As reactantuspto-grants-2013_01

Compound notes

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