5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one

C19H18O3 — CID 101213722

IUPAC5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C([C@H](O)c2ccccc2)=CCC1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H18O3/c20-17(13-7-3-1-4-8-13)15-11-12-16(19(15)22)18(21)14-9-5-2-6-10-14/h1-11,16-18,20-21H,12H2/t16?,17-,18+/m1/s1
InChIKeyMMZBHPHCBIRAHZ-RWZMTBSZSA-N
MW294.35 g/mol
LogP2.97
Rot. Bonds4

About 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one

5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one (PubChem CID 101213722) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one
PubChem CID101213722
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C([C@H](O)c2ccccc2)=CCC1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H18O3/c20-17(13-7-3-1-4-8-13)15-11-12-16(19(15)22)18(21)14-9-5-2-6-10-14/h1-11,16-18,20-21H,12H2/t16?,17-,18+/m1/s1
InChIKeyMMZBHPHCBIRAHZ-RWZMTBSZSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
2-[hydroxy(phenyl)methyl]cyclohex-2-en-1-one
CID 11074449
2-[hydroxy(phenyl)methyl]-5-methylidenecyclopent-2-en-1-one
CID 16741524
(2S)-2-[(S)-hydroxy(phenyl)methyl]-4,4-dimethylcyclohexan-1-one
CID 102156460
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
2,6-bis[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 10853441
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
4-[hydroxy(phenyl)methyl]-2-(piperidin-1-ylmethyl)cyclohexane-1,3-dione
CID 90870228
(S)-cyclopentyl(phenyl)methanol
CID 36691435

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one?
The IUPAC name of 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one (CID 101213722) is 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one is O=C1C([C@H](O)c2ccccc2)=CCC1[C@@H](O)c1ccccc1.
What is the InChIKey of 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one?
The InChIKey is MMZBHPHCBIRAHZ-RWZMTBSZSA-N. The full InChI is InChI=1S/C19H18O3/c20-17(13-7-3-1-4-8-13)15-11-12-16(19(15)22)18(21)14-9-5-2-6-10-14/h1-11,16-18,20-21H,12H2/t16?,17-,18+/m1/s1.
What are the key properties of 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one?
5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one has a molecular weight of 294.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 101213722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).