1-(5-chlorofuran-2-yl)nonan-1-one

C13H19ClO2 — CID 106690921

IUPAC1-(5-chlorofuran-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-10H,2-8H2,1H3
InChIKeyDHJBONRMOGJIDE-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.87
Rot. Bonds8

About 1-(5-chlorofuran-2-yl)nonan-1-one

1-(5-chlorofuran-2-yl)nonan-1-one (PubChem CID 106690921) has the molecular formula C13H19ClO2 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)nonan-1-one.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)nonan-1-one
PubChem CID106690921
Molecular FormulaC13H19ClO2
Molecular Weight242.75 g/mol
Exact Mass242.11
IUPAC Name1-(5-chlorofuran-2-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-10H,2-8H2,1H3
InChIKeyDHJBONRMOGJIDE-UHFFFAOYSA-N
XLogP4.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-chlorofuran-2-yl)nonan-1-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

1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
5-hexadecanoylfuran-2-sulfonic acid
CID 155143261
1-(5-chlorofuran-2-yl)-4-iodobutan-1-one
CID 89131529
5-pentanoylfuran-2-carboxylic acid
CID 97034823
1-(furan-2-yl)undecan-1-one
CID 15721327
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)nonan-1-one?
The IUPAC name of 1-(5-chlorofuran-2-yl)nonan-1-one (CID 106690921) is 1-(5-chlorofuran-2-yl)nonan-1-one.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)nonan-1-one?
The canonical SMILES for 1-(5-chlorofuran-2-yl)nonan-1-one is CCCCCCCCC(=O)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)nonan-1-one?
The InChIKey is DHJBONRMOGJIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-10H,2-8H2,1H3.
What are the key properties of 1-(5-chlorofuran-2-yl)nonan-1-one?
1-(5-chlorofuran-2-yl)nonan-1-one has a molecular weight of 242.75 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)nonan-1-one is sourced from PubChem (CID 106690921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).