alpha-(3,4-Dimethoxy-5-nitrophenyl)-2-thiophenemethanol

HCID 21458951
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Basic information

Standard SMILES
COc1cc(C(O)c2cccs2)cc([N+](=O)[O-])c1OC
InChIKey
UAYLQVWJRXIBPD-UHFFFAOYSA-N
Molecular formula
C13H13NO5S
Average molar mass
295.31 g/mol

Names & identifiers

Preferred name
alpha-(3,4-Dimethoxy-5-nitrophenyl)-2-thiophenemethanol
IUPAC
(3,4-dimethoxy-5-nitrophenyl)-thiophen-2-ylmethanol

Names & synonyms

SCHEMBL7372814UAYLQVWJRXIBPD-UHFFFAOYSA-Nalpha-(3,4-dimethoxy-5-nitrophenyl)-2-thiophenemethanol

Database identifiers

PubChem CID
21458951

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20

Related reactions

12 records
New reaction record

Compound notes

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