3-Buten-1-ol

Details

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Internal ID faa991ed-5a1a-4f6f-8a16-88848680ab92
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
IUPAC Name but-3-en-1-ol
SMILES (Canonical) C=CCCO
SMILES (Isomeric) C=CCCO
InChI InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
InChI Key ZSPTYLOMNJNZNG-UHFFFAOYSA-N
Popularity 378 references in papers

Physical and Chemical Properties

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Molecular Formula C4H8O
Molecular Weight 72.11 g/mol
Exact Mass 72.057514874 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 0.60

Synonyms

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627-27-0
but-3-en-1-ol
Allylcarbinol
3-Butenyl alcohol
1-Buten-4-ol
Vinylethyl alcohol
3-Butene-1-OL
CH2=CHCH2CH2OH
BUTEN-(3)-O1-(L)
3-Buten-1-O1
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-Buten-1-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
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 83.71% 83.57%
CHEMBL2885 P07451 Carbonic anhydrase III 82.89% 87.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.54% 91.11%

Cross-Links

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PubChem 69389
NPASS NPC91957