6-hydroxy-8-phenyloct-2-en-4-one

C14H18O2 — CID 71376619

IUPAC6-hydroxy-8-phenyloct-2-en-4-one
SMILESCC=CC(=O)CC(O)CCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(15)11-14(16)10-9-12-7-4-3-5-8-12/h2-8,14,16H,9-11H2,1H3
InChIKeyHISDXRDPIJUHGZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.52
Rot. Bonds6

About 6-hydroxy-8-phenyloct-2-en-4-one

6-hydroxy-8-phenyloct-2-en-4-one (PubChem CID 71376619) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-hydroxy-8-phenyloct-2-en-4-one.

Molecular Properties

Compound Name6-hydroxy-8-phenyloct-2-en-4-one
PubChem CID71376619
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-hydroxy-8-phenyloct-2-en-4-one
SMILESCC=CC(=O)CC(O)CCc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-6-13(15)11-14(16)10-9-12-7-4-3-5-8-12/h2-8,14,16H,9-11H2,1H3
InChIKeyHISDXRDPIJUHGZ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-hydroxy-8-phenyloct-2-en-4-one with MolForge

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

Launch Full Analysis

Related Compounds

5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
S-tert-butyl (3S)-3-hydroxy-5-phenylpentanethioate
CID 10956476
(E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
CID 102176225
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
CID 101206556
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
3-methyl-5-phenylpentanamide
CID 66761020
(E)-5-hydroxy-1-phenylnon-1-en-3-one
CID 11264760

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-8-phenyloct-2-en-4-one?
The IUPAC name of 6-hydroxy-8-phenyloct-2-en-4-one (CID 71376619) is 6-hydroxy-8-phenyloct-2-en-4-one.
What is the SMILES notation for 6-hydroxy-8-phenyloct-2-en-4-one?
The canonical SMILES for 6-hydroxy-8-phenyloct-2-en-4-one is CC=CC(=O)CC(O)CCc1ccccc1.
What is the InChIKey of 6-hydroxy-8-phenyloct-2-en-4-one?
The InChIKey is HISDXRDPIJUHGZ-UHFFFAOYSA-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/h2-8,14,16H,9-11H2,1H3.
What are the key properties of 6-hydroxy-8-phenyloct-2-en-4-one?
6-hydroxy-8-phenyloct-2-en-4-one has a molecular weight of 218.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-8-phenyloct-2-en-4-one is sourced from PubChem (CID 71376619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).