4-Ethoxybenzyl alcohol

Details

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Internal ID 452253cc-4419-450b-9dc8-0b599d392459
Taxonomy Benzenoids > Phenol ethers
IUPAC Name (4-ethoxyphenyl)methanol
SMILES (Canonical) CCOC1=CC=C(C=C1)CO
SMILES (Isomeric) CCOC1=CC=C(C=C1)CO
InChI InChI=1S/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3
InChI Key UKFLLQIRBABMKF-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C9H12O2
Molecular Weight 152.19 g/mol
Exact Mass 152.083729621 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 1.50

Synonyms

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(4-Ethoxyphenyl)methanol
6214-44-4
p-Ethoxybenzyl alcohol
4-Ethoxybenzylalcohol
Benzenemethanol, 4-ethoxy-
4-Ethoxybenzenemethanol
EINECS 228-283-8
NSC-406713
AI3-05517
O(CC)c1ccc(CO)cc1
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Ethoxybenzyl 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 92.34% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.39% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.99% 94.00%
CHEMBL2581 P07339 Cathepsin D 89.39% 98.95%
CHEMBL4208 P20618 Proteasome component C5 83.45% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 82.20% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.16% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.66% 90.24%
CHEMBL2039 P27338 Monoamine oxidase B 81.29% 92.51%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Gastrodia elata

Cross-Links

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PubChem 80345
NPASS NPC135716
LOTUS LTS0070232
wikiData Q105210693