3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one

C20H22O2 — CID 102181929

IUPAC3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(C=C=C(CC)CC)C(c2ccccc2)OC1=O
InChIInChI=1S/C20H22O2/c1-4-10-18-17(14-13-15(5-2)6-3)19(22-20(18)21)16-11-8-7-9-12-16/h4,7-9,11-12,14,19H,1,5-6,10H2,2-3H3
InChIKeyHXNAOIGIYTXGLA-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.06
Rot. Bonds6

About 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one

3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one (PubChem CID 102181929) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
PubChem CID102181929
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1=C(C=C=C(CC)CC)C(c2ccccc2)OC1=O
InChIInChI=1S/C20H22O2/c1-4-10-18-17(14-13-15(5-2)6-3)19(22-20(18)21)16-11-8-7-9-12-16/h4,7-9,11-12,14,19H,1,5-6,10H2,2-3H3
InChIKeyHXNAOIGIYTXGLA-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
2-phenyl-3-prop-2-enyl-2H-furan-5-one
CID 102338202
4-ethyl-3-[(Z)-3-hydroxy-2-iodo-3-methylbut-1-enyl]-2-phenyl-2H-furan-5-one
CID 102381185
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
(2S)-2-phenyl-4-prop-2-enyl-2H-furan-5-one
CID 71421512
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
3-butyl-2-phenyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11207248
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
2,3-dimethyl-4-prop-2-enyl-2H-furan-5-one
CID 14200711
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one (CID 102181929) is 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one is C=CCC1=C(C=C=C(CC)CC)C(c2ccccc2)OC1=O.
What is the InChIKey of 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
The InChIKey is HXNAOIGIYTXGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-10-18-17(14-13-15(5-2)6-3)19(22-20(18)21)16-11-8-7-9-12-16/h4,7-9,11-12,14,19H,1,5-6,10H2,2-3H3.
What are the key properties of 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one?
3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one has a molecular weight of 294.39 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpenta-1,2-dienyl)-2-phenyl-4-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 102181929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).