trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one

C25H21FO3 — CID 134961564

IUPACtrans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one
SMILESO=C(c1ccccc1)c1ccccc1C[C@]1(O)CCC(=O)[C@@]1(F)c1ccccc1
InChIInChI=1S/C25H21FO3/c26-25(20-12-5-2-6-13-20)22(27)15-16-24(25,29)17-19-11-7-8-14-21(19)23(28)18-9-3-1-4-10-18/h1-14,29H,15-17H2/t24-,25+/m1/s1
InChIKeyQRRSGJSJGJUMGE-RPBOFIJWSA-N
MW388.44 g/mol
LogP4.42
Rot. Bonds5

About trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one

trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one (PubChem CID 134961564) has the molecular formula C25H21FO3 and a molecular weight of 388.44 g/mol. Its IUPAC name is trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one
PubChem CID134961564
Molecular FormulaC25H21FO3
Molecular Weight388.44 g/mol
Exact Mass388.15
IUPAC Nametrans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one
SMILESO=C(c1ccccc1)c1ccccc1C[C@]1(O)CCC(=O)[C@@]1(F)c1ccccc1
InChIInChI=1S/C25H21FO3/c26-25(20-12-5-2-6-13-20)22(27)15-16-24(25,29)17-19-11-7-8-14-21(19)23(28)18-9-3-1-4-10-18/h1-14,29H,15-17H2/t24-,25+/m1/s1
InChIKeyQRRSGJSJGJUMGE-RPBOFIJWSA-N
XLogP4.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
CID 242918
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)-
CID 3054055
2-Hydroxy-2-phenacylindene-1,3-dione
CID 854945
(E)-5-hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
CID 5356161
2-benzyl-2-hydroxy-3H-inden-1-one
CID 20294786
2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione
CID 363395
5-Hydroxy-1,5,5-triphenyl-1,3-pentanedione
CID 366057
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-[(4-bromophenyl)methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961565
cis-(2R,3R)-2-benzyl-3-[[2-(4-bromobenzoyl)phenyl]methyl]-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961566
cis-(2R,3R)-3-[[2-benzoyl-5-(trifluoromethyl)phenyl]methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
CID 134961567
cis-(2R,3R)-3-[(2-benzoyl-5-methylphenyl)methyl]-2-benzyl-2-fluoro-3-hydroxycyclopentan-1-one
CID 134962297
cis-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-methylcyclopentan-1-one
CID 134962595

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one?
The IUPAC name of trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one (CID 134961564) is trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one?
The canonical SMILES for trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one is O=C(c1ccccc1)c1ccccc1C[C@]1(O)CCC(=O)[C@@]1(F)c1ccccc1.
What is the InChIKey of trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one?
The InChIKey is QRRSGJSJGJUMGE-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H21FO3/c26-25(20-12-5-2-6-13-20)22(27)15-16-24(25,29)17-19-11-7-8-14-21(19)23(28)18-9-3-1-4-10-18/h1-14,29H,15-17H2/t24-,25+/m1/s1.
What are the key properties of trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one?
trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one has a molecular weight of 388.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-3-[(2-benzoylphenyl)methyl]-2-fluoro-3-hydroxy-2-phenylcyclopentan-1-one is sourced from PubChem (CID 134961564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).