5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

C19H18O2 — CID 141477439

IUPAC5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C(Cc2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C19H18O2/c1-14-12-18(20)17(13-15-8-4-2-5-9-15)19(14,21)16-10-6-3-7-11-16/h2-12,17,21H,13H2,1H3
InChIKeyZZQGIIINCSIVCO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.26
Rot. Bonds3

About 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (PubChem CID 141477439) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
PubChem CID141477439
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C(Cc2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C19H18O2/c1-14-12-18(20)17(13-15-8-4-2-5-9-15)19(14,21)16-10-6-3-7-11-16/h2-12,17,21H,13H2,1H3
InChIKeyZZQGIIINCSIVCO-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130058504
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CID 141264245
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CID 165148051
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
5-benzyl-3-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 15149735
3-benzyl-4-methylazetidin-2-one
CID 55255467
3-benzyl-2,2-diphenyloxirane
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (CID 141477439) is 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is CC1=CC(=O)C(Cc2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is ZZQGIIINCSIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14-12-18(20)17(13-15-8-4-2-5-9-15)19(14,21)16-10-6-3-7-11-16/h2-12,17,21H,13H2,1H3.
What are the key properties of 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 278.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 141477439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).