1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one

C25H28O3 — CID 145487823

IUPAC1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2cccc(CC(=O)CC3CCCC3)c2)cc1
InChIInChI=1S/C25H28O3/c1-18(26)13-20-9-11-23(12-10-20)25(28)17-22-8-4-7-21(14-22)16-24(27)15-19-5-2-3-6-19/h4,7-12,14,19H,2-3,5-6,13,15-17H2,1H3
InChIKeyVFLKQHBGDYHIQO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.94
Rot. Bonds9

About 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one

1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one (PubChem CID 145487823) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one
PubChem CID145487823
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C(=O)Cc2cccc(CC(=O)CC3CCCC3)c2)cc1
InChIInChI=1S/C25H28O3/c1-18(26)13-20-9-11-23(12-10-20)25(28)17-22-8-4-7-21(14-22)16-24(27)15-19-5-2-3-6-19/h4,7-12,14,19H,2-3,5-6,13,15-17H2,1H3
InChIKeyVFLKQHBGDYHIQO-UHFFFAOYSA-N
XLogP4.94
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62504262
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1-(4-aminophenyl)-3-cyclopentylpropan-2-one
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CID 55096319
1-cyclopentyl-3-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]propan-2-one
CID 154285254
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
CID 160688271

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one?
The IUPAC name of 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one (CID 145487823) is 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one is CC(=O)Cc1ccc(C(=O)Cc2cccc(CC(=O)CC3CCCC3)c2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one?
The InChIKey is VFLKQHBGDYHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-18(26)13-20-9-11-23(12-10-20)25(28)17-22-8-4-7-21(14-22)16-24(27)15-19-5-2-3-6-19/h4,7-12,14,19H,2-3,5-6,13,15-17H2,1H3.
What are the key properties of 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one?
1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one has a molecular weight of 376.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]phenyl]propan-2-one is sourced from PubChem (CID 145487823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).