4-Chloro-3,5-dimethoxybenzyl alcohol

Details

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Internal ID 0ac65640-66e1-4c50-9237-581f6f24392b
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name (4-chloro-3,5-dimethoxyphenyl)methanol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C9H11ClO3/c1-12-7-3-6(5-11)4-8(13-2)9(7)10/h3-4,11H,5H2,1-2H3
InChI Key NEORIYMPRMFPGM-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C9H11ClO3
Molecular Weight 202.63 g/mol
Exact Mass 202.0396719 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 1.60

Synonyms

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(4-chloro-3,5-dimethoxyphenyl)methanol
CHEBI:180451
DTXSID701286090
4-Chloro-3,5-dimethoxybenzenemethanol
3,5-dimethoxy-4-chloro-benzyl alcohol
152570-76-8

2D Structure

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2D Structure of 4-Chloro-3,5-dimethoxybenzyl alcohol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.33% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.63% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.13% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.97% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 88.96% 86.92%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.63% 99.17%
CHEMBL2581 P07339 Cathepsin D 84.24% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.18% 92.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.35% 94.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 84777014
LOTUS LTS0149010
wikiData Q77503613