4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one

C14H16O3 — CID 142708556

IUPAC4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(c2cccc(OC)c2)C(=O)O1
InChIInChI=1S/C14H16O3/c1-3-5-12-9-13(14(15)17-12)10-6-4-7-11(8-10)16-2/h4,6-9,12H,3,5H2,1-2H3
InChIKeyPUDCBIJTYYDCBT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one

4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one (PubChem CID 142708556) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
PubChem CID142708556
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one
SMILESCCCC1C=C(c2cccc(OC)c2)C(=O)O1
InChIInChI=1S/C14H16O3/c1-3-5-12-9-13(14(15)17-12)10-6-4-7-11(8-10)16-2/h4,6-9,12H,3,5H2,1-2H3
InChIKeyPUDCBIJTYYDCBT-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one (CID 142708556) is 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one is CCCC1C=C(c2cccc(OC)c2)C(=O)O1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one?
The InChIKey is PUDCBIJTYYDCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-5-12-9-13(14(15)17-12)10-6-4-7-11(8-10)16-2/h4,6-9,12H,3,5H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one?
4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one has a molecular weight of 232.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-propyl-2H-furan-5-one is sourced from PubChem (CID 142708556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).