4-ethoxy-3-phenylpent-4-en-1-ol

C13H18O2 — CID 134979133

IUPAC4-ethoxy-3-phenylpent-4-en-1-ol
SMILESC=C(OCC)C(CCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-15-11(2)13(9-10-14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3
InChIKeyLZYNGPBEPQZRBL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds6

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

4-ethoxy-3-phenylpent-4-en-1-ol (PubChem CID 134979133) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-ethoxy-3-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name4-ethoxy-3-phenylpent-4-en-1-ol
PubChem CID134979133
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-ethoxy-3-phenylpent-4-en-1-ol
SMILESC=C(OCC)C(CCO)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-15-11(2)13(9-10-14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3
InChIKeyLZYNGPBEPQZRBL-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.70
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-3-phenylpent-4-en-1-ol?
The IUPAC name of 4-ethoxy-3-phenylpent-4-en-1-ol (CID 134979133) is 4-ethoxy-3-phenylpent-4-en-1-ol.
What is the SMILES notation for 4-ethoxy-3-phenylpent-4-en-1-ol?
The canonical SMILES for 4-ethoxy-3-phenylpent-4-en-1-ol is C=C(OCC)C(CCO)c1ccccc1.
What is the InChIKey of 4-ethoxy-3-phenylpent-4-en-1-ol?
The InChIKey is LZYNGPBEPQZRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-15-11(2)13(9-10-14)12-7-5-4-6-8-12/h4-8,13-14H,2-3,9-10H2,1H3.
What are the key properties of 4-ethoxy-3-phenylpent-4-en-1-ol?
4-ethoxy-3-phenylpent-4-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-phenylpent-4-en-1-ol is sourced from PubChem (CID 134979133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).