1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol

C15H20O3 — CID 129159331

IUPAC1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
SMILESC/C=C\C=C(/C)OCC(O)COc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-4-8-13(2)17-11-14(16)12-18-15-9-6-5-7-10-15/h3-10,14,16H,11-12H2,1-2H3/b4-3-,13-8+
InChIKeyLTYNGTZJQPJGDF-RHWWGGFXSA-N
MW248.32 g/mol
LogP2.92
Rot. Bonds7

About 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol

1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol (PubChem CID 129159331) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
PubChem CID129159331
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol
SMILESC/C=C\C=C(/C)OCC(O)COc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-4-8-13(2)17-11-14(16)12-18-15-9-6-5-7-10-15/h3-10,14,16H,11-12H2,1-2H3/b4-3-,13-8+
InChIKeyLTYNGTZJQPJGDF-RHWWGGFXSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
bis((E)-but-2-ene);cumene;1,3-diphenoxypropan-2-ol;phenol
CID 164982615
4-amino-1-phenoxyhex-5-en-2-ol
CID 70488948
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
(2-hydroxy-3-phenoxypropyl) 2-methylidenebutanoate
CID 149436973
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
CID 163450025

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol (CID 129159331) is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol is C/C=C\C=C(/C)OCC(O)COc1ccccc1.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol?
The InChIKey is LTYNGTZJQPJGDF-RHWWGGFXSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-8-13(2)17-11-14(16)12-18-15-9-6-5-7-10-15/h3-10,14,16H,11-12H2,1-2H3/b4-3-,13-8+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol?
1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol has a molecular weight of 248.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-phenoxypropan-2-ol is sourced from PubChem (CID 129159331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).