5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one

C19H18O2S — CID 71326698

IUPAC5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one
SMILESCC(Sc1ccccc1)C1(O)CC=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18O2S/c1-14(22-16-10-6-3-7-11-16)19(21)13-12-17(18(19)20)15-8-4-2-5-9-15/h2-12,14,21H,13H2,1H3
InChIKeyYRYQEDWLMJZKFG-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.95
Rot. Bonds4

About 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one

5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one (PubChem CID 71326698) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one
PubChem CID71326698
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one
SMILESCC(Sc1ccccc1)C1(O)CC=C(c2ccccc2)C1=O
InChIInChI=1S/C19H18O2S/c1-14(22-16-10-6-3-7-11-16)19(21)13-12-17(18(19)20)15-8-4-2-5-9-15/h2-12,14,21H,13H2,1H3
InChIKeyYRYQEDWLMJZKFG-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one (CID 71326698) is 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one is CC(Sc1ccccc1)C1(O)CC=C(c2ccccc2)C1=O.
What is the InChIKey of 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one?
The InChIKey is YRYQEDWLMJZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-14(22-16-10-6-3-7-11-16)19(21)13-12-17(18(19)20)15-8-4-2-5-9-15/h2-12,14,21H,13H2,1H3.
What are the key properties of 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one?
5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one has a molecular weight of 310.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-5-(1-phenylsulfanylethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 71326698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).