(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol

C15H20O3 — CID 10610568

IUPAC(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
SMILESOC(/C=C\COC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2/b9-6-
InChIKeyQZDDLBWVPDGUAI-TWGQIWQCSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds5

About (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol

(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol (PubChem CID 10610568) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
PubChem CID10610568
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
SMILESOC(/C=C\COC1CCCCO1)c1ccccc1
InChIInChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2/b9-6-
InChIKeyQZDDLBWVPDGUAI-TWGQIWQCSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(E,3S)-6-(oxan-2-yloxy)-3-phenylmethoxyhex-4-enal
CID 46928728
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
(E,2R,3S)-3,6-bis(oxan-2-yloxy)hex-4-en-2-ol
CID 10913620
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
CID 59508792
2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
CID 72615709

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The IUPAC name of (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol (CID 10610568) is (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol is OC(/C=C\COC1CCCCO1)c1ccccc1.
What is the InChIKey of (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
The InChIKey is QZDDLBWVPDGUAI-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H20O3/c16-14(13-7-2-1-3-8-13)9-6-12-18-15-10-4-5-11-17-15/h1-3,6-9,14-16H,4-5,10-12H2/b9-6-.
What are the key properties of (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol?
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 10610568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).