5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one

C15H18O4 — CID 139260438

IUPAC5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
SMILESCCCCC1=CC(=O)C(OC)(c2ccccc2O)O1
InChIInChI=1S/C15H18O4/c1-3-4-7-11-10-14(17)15(18-2,19-11)12-8-5-6-9-13(12)16/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyKMYHBMYBJGETSG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.86
Rot. Bonds5

About 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one

5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one (PubChem CID 139260438) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one.

Molecular Properties

Compound Name5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
PubChem CID139260438
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one
SMILESCCCCC1=CC(=O)C(OC)(c2ccccc2O)O1
InChIInChI=1S/C15H18O4/c1-3-4-7-11-10-14(17)15(18-2,19-11)12-8-5-6-9-13(12)16/h5-6,8-10,16H,3-4,7H2,1-2H3
InChIKeyKMYHBMYBJGETSG-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The IUPAC name of 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one (CID 139260438) is 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one.
What is the SMILES notation for 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The canonical SMILES for 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one is CCCCC1=CC(=O)C(OC)(c2ccccc2O)O1.
What is the InChIKey of 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
The InChIKey is KMYHBMYBJGETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-4-7-11-10-14(17)15(18-2,19-11)12-8-5-6-9-13(12)16/h5-6,8-10,16H,3-4,7H2,1-2H3.
What are the key properties of 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one?
5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one has a molecular weight of 262.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-hydroxyphenyl)-2-methoxyfuran-3-one is sourced from PubChem (CID 139260438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).