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

C18H16O2S — CID 71326644

IUPAC5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one
SMILESO=C1C(c2ccccc2)=CCC1(O)CSc1ccccc1
InChIInChI=1S/C18H16O2S/c19-17-16(14-7-3-1-4-8-14)11-12-18(17,20)13-21-15-9-5-2-6-10-15/h1-11,20H,12-13H2
InChIKeyYVUDPEVRUNJBRP-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.57
Rot. Bonds4

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

5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one (PubChem CID 71326644) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one
PubChem CID71326644
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one
SMILESO=C1C(c2ccccc2)=CCC1(O)CSc1ccccc1
InChIInChI=1S/C18H16O2S/c19-17-16(14-7-3-1-4-8-14)11-12-18(17,20)13-21-15-9-5-2-6-10-15/h1-11,20H,12-13H2
InChIKeyYVUDPEVRUNJBRP-UHFFFAOYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.57
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-(phenylsulfanylmethyl)cyclopent-2-en-1-one?
The IUPAC name of 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one (CID 71326644) is 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one?
The canonical SMILES for 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one is O=C1C(c2ccccc2)=CCC1(O)CSc1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one?
The InChIKey is YVUDPEVRUNJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-17-16(14-7-3-1-4-8-14)11-12-18(17,20)13-21-15-9-5-2-6-10-15/h1-11,20H,12-13H2.
What are the key properties of 5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one?
5-hydroxy-2-phenyl-5-(phenylsulfanylmethyl)cyclopent-2-en-1-one has a molecular weight of 296.39 g/mol, XLogP of 3.57, 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-(phenylsulfanylmethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 71326644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).