2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one

C17H22O3 — CID 141028984

IUPAC2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one
SMILESCCCCCCCC1OC(=O)C=C1c1ccccc1O
InChIInChI=1S/C17H22O3/c1-2-3-4-5-6-11-16-14(12-17(19)20-16)13-9-7-8-10-15(13)18/h7-10,12,16,18H,2-6,11H2,1H3
InChIKeyVEEGGMORMNAFNE-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.06
Rot. Bonds7

About 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one

2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one (PubChem CID 141028984) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one
PubChem CID141028984
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one
SMILESCCCCCCCC1OC(=O)C=C1c1ccccc1O
InChIInChI=1S/C17H22O3/c1-2-3-4-5-6-11-16-14(12-17(19)20-16)13-9-7-8-10-15(13)18/h7-10,12,16,18H,2-6,11H2,1H3
InChIKeyVEEGGMORMNAFNE-UHFFFAOYSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-heptyl-3-(4-methylphenyl)-2H-furan-5-one
CID 101165716
4-methylidene-3-octylisochromen-1-one
CID 10826080
3-naphthalen-1-yltellanyl-2-octyl-2H-furan-5-one
CID 134933455
(2S)-2-undecyl-3,1-benzoxathiin-4-one
CID 98093388
3-hydroxy-2-(3-phenylpropyl)-2H-furan-5-one
CID 69066807
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
(3S)-3-pentadecyl-3,4-dihydroisochromen-1-one
CID 101031026
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
sodium;3-butyl-3H-2-benzofuran-1-one;chloride
CID 158720726
(2R)-2-octadecyl-1,2-dihydroindol-3-one
CID 162846310
2-bromobenzoic acid;3-hexyl-3H-2-benzofuran-1-one
CID 161321565

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one?
The IUPAC name of 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one (CID 141028984) is 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one?
The canonical SMILES for 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one is CCCCCCCC1OC(=O)C=C1c1ccccc1O.
What is the InChIKey of 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one?
The InChIKey is VEEGGMORMNAFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-3-4-5-6-11-16-14(12-17(19)20-16)13-9-7-8-10-15(13)18/h7-10,12,16,18H,2-6,11H2,1H3.
What are the key properties of 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one?
2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one has a molecular weight of 274.36 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3-(2-hydroxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 141028984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).