(Z)-4-ethoxy-1-phenylbut-3-en-1-ol

C12H16O2 — CID 44889759

IUPAC(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
SMILESCCO/C=C\CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-2-14-10-6-9-12(13)11-7-4-3-5-8-11/h3-8,10,12-13H,2,9H2,1H3/b10-6-
InChIKeyGGMBZHBTRYLUMI-POHAHGRESA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds5

About (Z)-4-ethoxy-1-phenylbut-3-en-1-ol

(Z)-4-ethoxy-1-phenylbut-3-en-1-ol (PubChem CID 44889759) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-4-ethoxy-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
PubChem CID44889759
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
SMILESCCO/C=C\CC(O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-2-14-10-6-9-12(13)11-7-4-3-5-8-11/h3-8,10,12-13H,2,9H2,1H3/b10-6-
InChIKeyGGMBZHBTRYLUMI-POHAHGRESA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-phenylbut-3-en-1-ol
CID 4552736
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
[(Z)-4-hydroxy-4-phenylbut-1-enyl] 2,2-dimethylpropanoate
CID 101384599
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
(Z)-4,5,5-triethoxy-1-phenylpent-3-en-1-ol
CID 102298450
(Z,1R,5R)-1-phenyldec-3-ene-1,5-diol
CID 134895948
diethyl (Z)-2-[(E)-5-hydroxy-5-phenylpent-2-enyl]-3-methylbut-2-enedioate
CID 101357446
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(E)-1-phenyl-4-phenylsulfanylbut-3-en-1-ol
CID 12653805

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethoxy-1-phenylbut-3-en-1-ol?
The IUPAC name of (Z)-4-ethoxy-1-phenylbut-3-en-1-ol (CID 44889759) is (Z)-4-ethoxy-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z)-4-ethoxy-1-phenylbut-3-en-1-ol?
The canonical SMILES for (Z)-4-ethoxy-1-phenylbut-3-en-1-ol is CCO/C=C\CC(O)c1ccccc1.
What is the InChIKey of (Z)-4-ethoxy-1-phenylbut-3-en-1-ol?
The InChIKey is GGMBZHBTRYLUMI-POHAHGRESA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-10-6-9-12(13)11-7-4-3-5-8-11/h3-8,10,12-13H,2,9H2,1H3/b10-6-.
What are the key properties of (Z)-4-ethoxy-1-phenylbut-3-en-1-ol?
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethoxy-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 44889759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).