[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C22H20O4 — CID 8611527

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C22H20O4/c23-18(20-14-16-8-4-5-11-19(16)26-20)15-25-21(24)22(12-6-7-13-22)17-9-2-1-3-10-17/h1-5,8-11,14H,6-7,12-13,15H2
InChIKeyBQUHEFSOJDJCJC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.67
Rot. Bonds5

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 8611527) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID8611527
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C22H20O4/c23-18(20-14-16-8-4-5-11-19(16)26-20)15-25-21(24)22(12-6-7-13-22)17-9-2-1-3-10-17/h1-5,8-11,14H,6-7,12-13,15H2
InChIKeyBQUHEFSOJDJCJC-UHFFFAOYSA-N
XLogP4.67
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(3-chlorophenyl)-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 155946371
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-(1-benzofuran-2-yl)-2-(2-phenylethoxy)ethanone
CID 43800797
phenacyl 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 55312475
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 8611527) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCCC1)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is BQUHEFSOJDJCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c23-18(20-14-16-8-4-5-11-19(16)26-20)15-25-21(24)22(12-6-7-13-22)17-9-2-1-3-10-17/h1-5,8-11,14H,6-7,12-13,15H2.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 8611527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).