5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one

C19H20O2 — CID 65441462

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
SMILESO=C(CCCCc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(16-7-2-1-3-8-16)9-5-4-6-15-10-11-19-17(14-15)12-13-21-19/h1-3,7-8,10-11,14H,4-6,9,12-13H2
InChIKeyMAVOQJPASUJTIO-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds6

About 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one

5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one (PubChem CID 65441462) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
PubChem CID65441462
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one
SMILESO=C(CCCCc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(16-7-2-1-3-8-16)9-5-4-6-15-10-11-19-17(14-15)12-13-21-19/h1-3,7-8,10-11,14H,4-6,9,12-13H2
InChIKeyMAVOQJPASUJTIO-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-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

3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
1-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65447195
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylpropan-1-one
CID 65446245
2-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl-methylamino]propanoic acid
CID 122036768
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 114974257
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyl-3-pyridinyl)propan-1-one
CID 105103302
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one (CID 65441462) is 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one is O=C(CCCCc1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one?
The InChIKey is MAVOQJPASUJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(16-7-2-1-3-8-16)9-5-4-6-15-10-11-19-17(14-15)12-13-21-19/h1-3,7-8,10-11,14H,4-6,9,12-13H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one?
5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylpentan-1-one is sourced from PubChem (CID 65441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).