[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate

C14H16O3 — CID 135015279

IUPAC[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate
SMILESCC(=O)OC(/C=C/C=C/c1ccccc1)CO
InChIInChI=1S/C14H16O3/c1-12(16)17-14(11-15)10-6-5-9-13-7-3-2-4-8-13/h2-10,14-15H,11H2,1H3/b9-5+,10-6+
InChIKeyXFNFQIQCXQVPBX-NXZHAISVSA-N
MW232.28 g/mol
LogP2.18
Rot. Bonds5

About [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate

[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate (PubChem CID 135015279) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate.

Molecular Properties

Compound Name[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate
PubChem CID135015279
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate
SMILESCC(=O)OC(/C=C/C=C/c1ccccc1)CO
InChIInChI=1S/C14H16O3/c1-12(16)17-14(11-15)10-6-5-9-13-7-3-2-4-8-13/h2-10,14-15H,11H2,1H3/b9-5+,10-6+
InChIKeyXFNFQIQCXQVPBX-NXZHAISVSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E,3R)-5-oxo-1-phenylpent-1-en-3-yl] acetate
CID 54768294
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
acetyloxymethyl (2E,4E)-5-phenylpenta-2,4-dienoate
CID 22731468
[(1E,3R)-1-phenylhexa-1,5-dien-3-yl] (2S)-2-acetyloxy-2-phenylacetate
CID 10315870
ethyl (E,3S,4R)-3-acetyloxy-4-methyl-6-phenylhex-5-enoate
CID 11392142
[(1E,3E)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]trideca-1,3-dien-5-yl] acetate
CID 15661772
[(2R)-1-hydroxy-3-methyl-5-phenylpenta-3,4-dien-2-yl] acetate
CID 101414734
[(E,1S)-1-(benzenesulfonyl)-3-phenylprop-2-enyl] acetate
CID 102182706

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate?
The IUPAC name of [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate (CID 135015279) is [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate.
What is the SMILES notation for [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate?
The canonical SMILES for [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate is CC(=O)OC(/C=C/C=C/c1ccccc1)CO.
What is the InChIKey of [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate?
The InChIKey is XFNFQIQCXQVPBX-NXZHAISVSA-N. The full InChI is InChI=1S/C14H16O3/c1-12(16)17-14(11-15)10-6-5-9-13-7-3-2-4-8-13/h2-10,14-15H,11H2,1H3/b9-5+,10-6+.
What are the key properties of [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate?
[(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate has a molecular weight of 232.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-1-hydroxy-6-phenylhexa-3,5-dien-2-yl] acetate is sourced from PubChem (CID 135015279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).