4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one

C18H20O2 — CID 86094746

IUPAC4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one
SMILESCCC(=C=CC1=CC(=O)OC1(C)c1ccccc1)CC
InChIInChI=1S/C18H20O2/c1-4-14(5-2)11-12-16-13-17(19)20-18(16,3)15-9-7-6-8-10-15/h6-10,12-13H,4-5H2,1-3H3
InChIKeyJDXXBYPSUGFXQN-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.29
Rot. Bonds4

About 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one

4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one (PubChem CID 86094746) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one
PubChem CID86094746
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one
SMILESCCC(=C=CC1=CC(=O)OC1(C)c1ccccc1)CC
InChIInChI=1S/C18H20O2/c1-4-14(5-2)11-12-16-13-17(19)20-18(16,3)15-9-7-6-8-10-15/h6-10,12-13H,4-5H2,1-3H3
InChIKeyJDXXBYPSUGFXQN-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 8785
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CID 31353
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CID 250096
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CID 8432
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CID 5355858
CID 5355858
CID 31219
CID 31219
CID 62341
CID 62341
CID 5357002
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CID 17236
CID 17236
CID 9024
CID 9024
CID 61997
CID 61997
CID 5356259
CID 5356259

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one?
The IUPAC name of 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one (CID 86094746) is 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one.
What is the SMILES notation for 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one?
The canonical SMILES for 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one is CCC(=C=CC1=CC(=O)OC1(C)c1ccccc1)CC.
What is the InChIKey of 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one?
The InChIKey is JDXXBYPSUGFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-14(5-2)11-12-16-13-17(19)20-18(16,3)15-9-7-6-8-10-15/h6-10,12-13H,4-5H2,1-3H3.
What are the key properties of 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one?
4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one has a molecular weight of 268.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpenta-1,2-dienyl)-5-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 86094746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).