5-hydroxy-4-(3-pentylphenyl)oxolan-2-one

C15H20O3 — CID 90714105

IUPAC5-hydroxy-4-(3-pentylphenyl)oxolan-2-one
SMILESCCCCCc1cccc(C2CC(=O)OC2O)c1
InChIInChI=1S/C15H20O3/c1-2-3-4-6-11-7-5-8-12(9-11)13-10-14(16)18-15(13)17/h5,7-9,13,15,17H,2-4,6,10H2,1H3
InChIKeyGURHJNWLYOLDTL-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.77
Rot. Bonds5

About 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one

5-hydroxy-4-(3-pentylphenyl)oxolan-2-one (PubChem CID 90714105) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(3-pentylphenyl)oxolan-2-one
PubChem CID90714105
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-hydroxy-4-(3-pentylphenyl)oxolan-2-one
SMILESCCCCCc1cccc(C2CC(=O)OC2O)c1
InChIInChI=1S/C15H20O3/c1-2-3-4-6-11-7-5-8-12(9-11)13-10-14(16)18-15(13)17/h5,7-9,13,15,17H,2-4,6,10H2,1H3
InChIKeyGURHJNWLYOLDTL-UHFFFAOYSA-N
XLogP2.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one?
The IUPAC name of 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one (CID 90714105) is 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one.
What is the SMILES notation for 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one?
The canonical SMILES for 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one is CCCCCc1cccc(C2CC(=O)OC2O)c1.
What is the InChIKey of 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one?
The InChIKey is GURHJNWLYOLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-3-4-6-11-7-5-8-12(9-11)13-10-14(16)18-15(13)17/h5,7-9,13,15,17H,2-4,6,10H2,1H3.
What are the key properties of 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one?
5-hydroxy-4-(3-pentylphenyl)oxolan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(3-pentylphenyl)oxolan-2-one is sourced from PubChem (CID 90714105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).