4-ethoxy-1-phenylbut-3-en-1-ol

C12H16O2 — CID 4552736

IUPAC4-ethoxy-1-phenylbut-3-en-1-ol
SMILESCCOC=CCC(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
InChIKeyGGMBZHBTRYLUMI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds5

About 4-ethoxy-1-phenylbut-3-en-1-ol

4-ethoxy-1-phenylbut-3-en-1-ol (PubChem CID 4552736) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-ethoxy-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-phenylbut-3-en-1-ol
PubChem CID4552736
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-ethoxy-1-phenylbut-3-en-1-ol
SMILESCCOC=CCC(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
InChIKeyGGMBZHBTRYLUMI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-phenylbut-3-en-1-ol?
The IUPAC name of 4-ethoxy-1-phenylbut-3-en-1-ol (CID 4552736) is 4-ethoxy-1-phenylbut-3-en-1-ol.
What is the SMILES notation for 4-ethoxy-1-phenylbut-3-en-1-ol?
The canonical SMILES for 4-ethoxy-1-phenylbut-3-en-1-ol is CCOC=CCC(O)c1ccccc1.
What is the InChIKey of 4-ethoxy-1-phenylbut-3-en-1-ol?
The InChIKey is GGMBZHBTRYLUMI-UHFFFAOYSA-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.
What are the key properties of 4-ethoxy-1-phenylbut-3-en-1-ol?
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 4-ethoxy-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 4552736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).