6,6-diethoxy-1-phenylhex-2-en-1-one

C16H22O3 — CID 154199193

IUPAC6,6-diethoxy-1-phenylhex-2-en-1-one
SMILESCCOC(CCC=CC(=O)c1ccccc1)OCC
InChIInChI=1S/C16H22O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3
InChIKeyBYZYTIWUXXWOAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.60
Rot. Bonds9

About 6,6-diethoxy-1-phenylhex-2-en-1-one

6,6-diethoxy-1-phenylhex-2-en-1-one (PubChem CID 154199193) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6,6-diethoxy-1-phenylhex-2-en-1-one.

Molecular Properties

Compound Name6,6-diethoxy-1-phenylhex-2-en-1-one
PubChem CID154199193
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name6,6-diethoxy-1-phenylhex-2-en-1-one
SMILESCCOC(CCC=CC(=O)c1ccccc1)OCC
InChIInChI=1S/C16H22O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3
InChIKeyBYZYTIWUXXWOAY-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-phenylpent-2-en-1-one
CID 91998885
[(E)-5,5-diethoxypent-1-enyl]benzene
CID 21423476
6,6-diethoxy-1-phenylhexan-1-one
CID 141451964
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
[(Z)-7-oxo-7-phenylhept-5-enyl] acetate
CID 101049476
8-hydroxy-1-phenyloct-2-en-1-one
CID 86086024
(E)-8-oxo-8-phenyloct-6-enenitrile
CID 11321833
(E)-4-(diethylamino)-1-phenylbut-2-en-1-one;hydrobromide
CID 15942801
methyl (E)-8-oxo-8-phenyloct-6-en-2-ynoate
CID 102081556
5,5-diethoxypent-1-enoxymethoxymethylbenzene
CID 162392535
(E)-5-[(2R,3R)-3-methyloxiran-2-yl]-1-phenylpent-2-en-1-one
CID 101403623

Frequently Asked Questions

What is the IUPAC name of 6,6-diethoxy-1-phenylhex-2-en-1-one?
The IUPAC name of 6,6-diethoxy-1-phenylhex-2-en-1-one (CID 154199193) is 6,6-diethoxy-1-phenylhex-2-en-1-one.
What is the SMILES notation for 6,6-diethoxy-1-phenylhex-2-en-1-one?
The canonical SMILES for 6,6-diethoxy-1-phenylhex-2-en-1-one is CCOC(CCC=CC(=O)c1ccccc1)OCC.
What is the InChIKey of 6,6-diethoxy-1-phenylhex-2-en-1-one?
The InChIKey is BYZYTIWUXXWOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-18-16(19-4-2)13-9-8-12-15(17)14-10-6-5-7-11-14/h5-8,10-12,16H,3-4,9,13H2,1-2H3.
What are the key properties of 6,6-diethoxy-1-phenylhex-2-en-1-one?
6,6-diethoxy-1-phenylhex-2-en-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethoxy-1-phenylhex-2-en-1-one is sourced from PubChem (CID 154199193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).