phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate

C23H24O3 — CID 67468785

IUPACphenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate
SMILESO=C1CCc2c1cccc2C(CC1CCCC1)C(=O)Oc1ccccc1
InChIInChI=1S/C23H24O3/c24-22-14-13-19-18(11-6-12-20(19)22)21(15-16-7-4-5-8-16)23(25)26-17-9-2-1-3-10-17/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2
InChIKeyHXLGCGYEQCCADQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.09
Rot. Bonds5

About phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate

phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate (PubChem CID 67468785) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate.

Molecular Properties

Compound Namephenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate
PubChem CID67468785
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Namephenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate
SMILESO=C1CCc2c1cccc2C(CC1CCCC1)C(=O)Oc1ccccc1
InChIInChI=1S/C23H24O3/c24-22-14-13-19-18(11-6-12-20(19)22)21(15-16-7-4-5-8-16)23(25)26-17-9-2-1-3-10-17/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2
InChIKeyHXLGCGYEQCCADQ-UHFFFAOYSA-N
XLogP5.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl 2-cyclopentylpropanedioate
CID 102478722
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
2,3-dihydroxy-3-(1-oxo-2,3-dihydroinden-4-yl)propanoic acid
CID 170824156
2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
CID 106987780
phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579
phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate
CID 174535676
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-bromo-3-cyclopentyl-1-phenylpropan-1-one
CID 11808108
cyclobutylmethyl phenyl carbonate
CID 67717411

Frequently Asked Questions

What is the IUPAC name of phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate?
The IUPAC name of phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate (CID 67468785) is phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate.
What is the SMILES notation for phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate?
The canonical SMILES for phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate is O=C1CCc2c1cccc2C(CC1CCCC1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate?
The InChIKey is HXLGCGYEQCCADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c24-22-14-13-19-18(11-6-12-20(19)22)21(15-16-7-4-5-8-16)23(25)26-17-9-2-1-3-10-17/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2.
What are the key properties of phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate?
phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate has a molecular weight of 348.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-cyclopentyl-2-(1-oxo-2,3-dihydroinden-4-yl)propanoate is sourced from PubChem (CID 67468785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).