4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one

C37H32O2Si — CID 162410813

IUPAC4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one
SMILESO=C(CCC(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C37H32O2Si/c38-35(29-15-5-1-6-16-29)26-25-31(37-27-30-17-13-14-24-36(30)39-37)28-40(32-18-7-2-8-19-32,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-24,27,31H,25-26,28H2
InChIKeyPFTZGPKYPBKEKJ-UHFFFAOYSA-N
MW536.75 g/mol
LogP7.35
Rot. Bonds10

About 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one

4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one (PubChem CID 162410813) has the molecular formula C37H32O2Si and a molecular weight of 536.75 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one
PubChem CID162410813
Molecular FormulaC37H32O2Si
Molecular Weight536.75 g/mol
Exact Mass536.22
IUPAC Name4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one
SMILESO=C(CCC(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C37H32O2Si/c38-35(29-15-5-1-6-16-29)26-25-31(37-27-30-17-13-14-24-36(30)39-37)28-40(32-18-7-2-8-19-32,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-24,27,31H,25-26,28H2
InChIKeyPFTZGPKYPBKEKJ-UHFFFAOYSA-N
XLogP7.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.75
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,4-diphenyl-5-trimethylsilylpentan-1-one
CID 102209299
[(2S)-2-(1-benzofuran-2-yl)-4-oxobutyl] benzoate
CID 101454513
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
4-chloro-1-phenylpentan-1-one
CID 14472970
3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 63897695
(3R)-3-acetamido-3-(1-benzofuran-2-yl)propanoic acid
CID 78953838
3-(1-benzofuran-5-yl)-1-phenylpropan-1-one
CID 140968669

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one (CID 162410813) is 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one is O=C(CCC(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one?
The InChIKey is PFTZGPKYPBKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O2Si/c38-35(29-15-5-1-6-16-29)26-25-31(37-27-30-17-13-14-24-36(30)39-37)28-40(32-18-7-2-8-19-32,33-20-9-3-10-21-33)34-22-11-4-12-23-34/h1-24,27,31H,25-26,28H2.
What are the key properties of 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one?
4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one has a molecular weight of 536.75 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one is sourced from PubChem (CID 162410813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).