Propen-2-ol

Details

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Internal ID 7e94c8f1-5947-41d0-ae68-526a89607620
Taxonomy Organic oxygen compounds > Organooxygen compounds > Enols
IUPAC Name prop-1-en-2-ol
SMILES (Canonical) CC(=C)O
SMILES (Isomeric) CC(=C)O
InChI InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3
InChI Key NARVIWMVBMUEOG-UHFFFAOYSA-N
Popularity 94 references in papers

Physical and Chemical Properties

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Molecular Formula C3H6O
Molecular Weight 58.08 g/mol
Exact Mass 58.041864811 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 0.90

Synonyms

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29456-04-0
1-Propen-2-ol
CH2=C(OH)CH3
DTXSID20183662
NARVIWMVBMUEOG-UHFFFAOYSA-N
2-acetoxy-1-propene(1-propen-2-ol)

2D Structure

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2D Structure of Propen-2-ol

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 80.21% 96.09%

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.
Allium sativum
Aniba megaphylla
Berberis integerrima
Calocedrus decurrens
Digitalis sceptrum
Herbertus sakuraii
Nauclea latifolia
Orthopappus angustifolius
Scurrula parasitica

Cross-Links

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PubChem 141483
NPASS NPC117408