2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone

C17H18O2 — CID 10824842

IUPAC2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone
SMILESO=C(C1=COCC1)C(C1=CCCC1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(15-10-11-19-12-15)16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-8,12,16H,4-5,9-11H2
InChIKeyGEPAAWLCFFJING-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.75
Rot. Bonds4

About 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone

2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone (PubChem CID 10824842) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone
PubChem CID10824842
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone
SMILESO=C(C1=COCC1)C(C1=CCCC1)c1ccccc1
InChIInChI=1S/C17H18O2/c18-17(15-10-11-19-12-15)16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-8,12,16H,4-5,9-11H2
InChIKeyGEPAAWLCFFJING-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone (CID 10824842) is 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone is O=C(C1=COCC1)C(C1=CCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone?
The InChIKey is GEPAAWLCFFJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(15-10-11-19-12-15)16(14-8-4-5-9-14)13-6-2-1-3-7-13/h1-3,6-8,12,16H,4-5,9-11H2.
What are the key properties of 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone?
2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone has a molecular weight of 254.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-(2,3-dihydrofuran-4-yl)-2-phenylethanone is sourced from PubChem (CID 10824842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).