(E)-3-ethyl-6-phenoxyhex-4-en-3-ol

C14H20O2 — CID 15356978

IUPAC(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
SMILESCCC(O)(/C=C/COc1ccccc1)CC
InChIInChI=1S/C14H20O2/c1-3-14(15,4-2)11-8-12-16-13-9-6-5-7-10-13/h5-11,15H,3-4,12H2,1-2H3/b11-8+
InChIKeyXPSDVENGMPDIGB-DHZHZOJOSA-N
MW220.31 g/mol
LogP3.17
Rot. Bonds6

About (E)-3-ethyl-6-phenoxyhex-4-en-3-ol

(E)-3-ethyl-6-phenoxyhex-4-en-3-ol (PubChem CID 15356978) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (E)-3-ethyl-6-phenoxyhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
PubChem CID15356978
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(E)-3-ethyl-6-phenoxyhex-4-en-3-ol
SMILESCCC(O)(/C=C/COc1ccccc1)CC
InChIInChI=1S/C14H20O2/c1-3-14(15,4-2)11-8-12-16-13-9-6-5-7-10-13/h5-11,15H,3-4,12H2,1-2H3/b11-8+
InChIKeyXPSDVENGMPDIGB-DHZHZOJOSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-6-phenoxyhex-4-en-3-ol?
The IUPAC name of (E)-3-ethyl-6-phenoxyhex-4-en-3-ol (CID 15356978) is (E)-3-ethyl-6-phenoxyhex-4-en-3-ol.
What is the SMILES notation for (E)-3-ethyl-6-phenoxyhex-4-en-3-ol?
The canonical SMILES for (E)-3-ethyl-6-phenoxyhex-4-en-3-ol is CCC(O)(/C=C/COc1ccccc1)CC.
What is the InChIKey of (E)-3-ethyl-6-phenoxyhex-4-en-3-ol?
The InChIKey is XPSDVENGMPDIGB-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-14(15,4-2)11-8-12-16-13-9-6-5-7-10-13/h5-11,15H,3-4,12H2,1-2H3/b11-8+.
What are the key properties of (E)-3-ethyl-6-phenoxyhex-4-en-3-ol?
(E)-3-ethyl-6-phenoxyhex-4-en-3-ol has a molecular weight of 220.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-6-phenoxyhex-4-en-3-ol is sourced from PubChem (CID 15356978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).