2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol

C17H24O3 — CID 72615709

IUPAC2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
SMILESCCC(O)C(=Cc1ccccc1)COC1CCCCO1
InChIInChI=1S/C17H24O3/c1-2-16(18)15(12-14-8-4-3-5-9-14)13-20-17-10-6-7-11-19-17/h3-5,8-9,12,16-18H,2,6-7,10-11,13H2,1H3
InChIKeyQEUSGIAQQTXKOX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.38
Rot. Bonds6

About 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol

2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol (PubChem CID 72615709) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
PubChem CID72615709
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
SMILESCCC(O)C(=Cc1ccccc1)COC1CCCCO1
InChIInChI=1S/C17H24O3/c1-2-16(18)15(12-14-8-4-3-5-9-14)13-20-17-10-6-7-11-19-17/h3-5,8-9,12,16-18H,2,6-7,10-11,13H2,1H3
InChIKeyQEUSGIAQQTXKOX-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yloxymethyl)-1-trimethylsilyloct-1-en-3-ol
CID 59990282
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
CID 10882542
CID 10882542
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
(E)-2-(oxan-2-yloxy)-4-phenylbut-3-enenitrile
CID 11593933
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
[(3R,4R,5R,6R)-4,5,6-tribenzoyloxy-7-(oxan-2-yloxy)heptan-3-yl] benzoate
CID 90294852
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
CID 101421937
[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane
CID 15400444

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol?
The IUPAC name of 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol (CID 72615709) is 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol?
The canonical SMILES for 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol is CCC(O)C(=Cc1ccccc1)COC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol?
The InChIKey is QEUSGIAQQTXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-16(18)15(12-14-8-4-3-5-9-14)13-20-17-10-6-7-11-19-17/h3-5,8-9,12,16-18H,2,6-7,10-11,13H2,1H3.
What are the key properties of 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol?
2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol has a molecular weight of 276.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 72615709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).