(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one

C14H16O2 — CID 132501242

IUPAC(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
SMILESCC[C@]1(O)CC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C14H16O2/c1-3-14(16)9-10(2)12(13(14)15)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3/t14-/m0/s1
InChIKeyNKRKWZPVXARWRC-AWEZNQCLSA-N
MW216.28 g/mol
LogP2.57
Rot. Bonds2

About (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one

(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one (PubChem CID 132501242) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
PubChem CID132501242
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
SMILESCC[C@]1(O)CC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C14H16O2/c1-3-14(16)9-10(2)12(13(14)15)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3/t14-/m0/s1
InChIKeyNKRKWZPVXARWRC-AWEZNQCLSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one?
The IUPAC name of (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one (CID 132501242) is (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one is CC[C@]1(O)CC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one?
The InChIKey is NKRKWZPVXARWRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-14(16)9-10(2)12(13(14)15)11-7-5-4-6-8-11/h4-8,16H,3,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one?
(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 132501242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).