2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one

C19H24O4 — CID 24970583

IUPAC2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one
SMILESCC(C)=CCOc1ccc(C2=C(CC(C)C)C(O)OC2=O)cc1
InChIInChI=1S/C19H24O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13,18,20H,10-11H2,1-4H3
InChIKeyWALOFELUZXOXIJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.71
Rot. Bonds6

About 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one

2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one (PubChem CID 24970583) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one
PubChem CID24970583
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one
SMILESCC(C)=CCOc1ccc(C2=C(CC(C)C)C(O)OC2=O)cc1
InChIInChI=1S/C19H24O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13,18,20H,10-11H2,1-4H3
InChIKeyWALOFELUZXOXIJ-UHFFFAOYSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one (CID 24970583) is 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one is CC(C)=CCOc1ccc(C2=C(CC(C)C)C(O)OC2=O)cc1.
What is the InChIKey of 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one?
The InChIKey is WALOFELUZXOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13,18,20H,10-11H2,1-4H3.
What are the key properties of 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one?
2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one has a molecular weight of 316.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[4-(3-methylbut-2-enoxy)phenyl]-3-(2-methylpropyl)-2H-furan-5-one is sourced from PubChem (CID 24970583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).