(E)-5-hydroxy-1-phenyloct-1-en-3-one

C14H18O2 — CID 23563813

IUPAC(E)-5-hydroxy-1-phenyloct-1-en-3-one
SMILESCCCC(O)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(15)11-14(16)10-9-12-7-4-3-5-8-12/h3-5,7-10,13,15H,2,6,11H2,1H3/b10-9+
InChIKeyZVBIMDNDWOELGX-MDZDMXLPSA-N
MW218.30 g/mol
LogP2.82
Rot. Bonds6

About (E)-5-hydroxy-1-phenyloct-1-en-3-one

(E)-5-hydroxy-1-phenyloct-1-en-3-one (PubChem CID 23563813) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (E)-5-hydroxy-1-phenyloct-1-en-3-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1-phenyloct-1-en-3-one
PubChem CID23563813
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(E)-5-hydroxy-1-phenyloct-1-en-3-one
SMILESCCCC(O)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(15)11-14(16)10-9-12-7-4-3-5-8-12/h3-5,7-10,13,15H,2,6,11H2,1H3/b10-9+
InChIKeyZVBIMDNDWOELGX-MDZDMXLPSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-hydroxy-1-phenyloct-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1-phenyloct-1-en-3-one?
The IUPAC name of (E)-5-hydroxy-1-phenyloct-1-en-3-one (CID 23563813) is (E)-5-hydroxy-1-phenyloct-1-en-3-one.
What is the SMILES notation for (E)-5-hydroxy-1-phenyloct-1-en-3-one?
The canonical SMILES for (E)-5-hydroxy-1-phenyloct-1-en-3-one is CCCC(O)CC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-5-hydroxy-1-phenyloct-1-en-3-one?
The InChIKey is ZVBIMDNDWOELGX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-6-13(15)11-14(16)10-9-12-7-4-3-5-8-12/h3-5,7-10,13,15H,2,6,11H2,1H3/b10-9+.
What are the key properties of (E)-5-hydroxy-1-phenyloct-1-en-3-one?
(E)-5-hydroxy-1-phenyloct-1-en-3-one has a molecular weight of 218.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1-phenyloct-1-en-3-one is sourced from PubChem (CID 23563813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).