(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one

C11H10O2 — CID 170551049

IUPAC(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7,9,11-12H/t9-,11+/m0/s1
InChIKeyXTMOUGOROVDTGR-GXSJLCMTSA-N
MW174.20 g/mol
LogP1.27
Rot. Bonds1

About (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one

(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one (PubChem CID 170551049) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
PubChem CID170551049
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=C[C@H](O)[C@H]1c1ccccc1
InChIInChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7,9,11-12H/t9-,11+/m0/s1
InChIKeyXTMOUGOROVDTGR-GXSJLCMTSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10535669
4-(4-fluoroanilino)-5-phenylcyclopent-2-en-1-one
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CID 125486133
(1S,5S,7S)-7-phenyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 101489581
(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
CID 101115951
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
CID 10978676
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
CID 14284850
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
CID 10997780
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one (CID 170551049) is (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one is O=C1C=C[C@H](O)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one?
The InChIKey is XTMOUGOROVDTGR-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H10O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7,9,11-12H/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one?
(4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 170551049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).