(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one

C23H24F2O3 — CID 59303190

IUPAC(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
SMILESO=C(/C=C(\CCCOC1CCCCO1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C23H24F2O3/c24-19-11-12-21(25)20(16-19)22(26)15-18(17-7-2-1-3-8-17)9-6-14-28-23-10-4-5-13-27-23/h1-3,7-8,11-12,15-16,23H,4-6,9-10,13-14H2/b18-15+
InChIKeyFGJXKKCXHNTUKU-OBGWFSINSA-N
MW386.44 g/mol
LogP5.55
Rot. Bonds8

About (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one

(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one (PubChem CID 59303190) has the molecular formula C23H24F2O3 and a molecular weight of 386.44 g/mol. Its IUPAC name is (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
PubChem CID59303190
Molecular FormulaC23H24F2O3
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
SMILESO=C(/C=C(\CCCOC1CCCCO1)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C23H24F2O3/c24-19-11-12-21(25)20(16-19)22(26)15-18(17-7-2-1-3-8-17)9-6-14-28-23-10-4-5-13-27-23/h1-3,7-8,11-12,15-16,23H,4-6,9-10,13-14H2/b18-15+
InChIKeyFGJXKKCXHNTUKU-OBGWFSINSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-(5-fluoro-2-phenylmethoxyphenyl)-4-phenylhex-4-enoxy]oxane
CID 69483108
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
(2S)-2-[3-(2,4-difluorophenyl)sulfanylpropoxy]oxane
CID 124565486
3-[4-[(2,6-difluorophenyl)methoxy]-3-[3-(oxan-2-yloxy)propoxy]phenyl]but-2-enamide
CID 70247952
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
CID 11723415
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one?
The IUPAC name of (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one (CID 59303190) is (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one is O=C(/C=C(\CCCOC1CCCCO1)c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one?
The InChIKey is FGJXKKCXHNTUKU-OBGWFSINSA-N. The full InChI is InChI=1S/C23H24F2O3/c24-19-11-12-21(25)20(16-19)22(26)15-18(17-7-2-1-3-8-17)9-6-14-28-23-10-4-5-13-27-23/h1-3,7-8,11-12,15-16,23H,4-6,9-10,13-14H2/b18-15+.
What are the key properties of (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one?
(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one has a molecular weight of 386.44 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one is sourced from PubChem (CID 59303190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).