(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one

C18H15FO2 — CID 134963170

IUPAC(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)Cc2cc(F)ccc2C1=O
InChIInChI=1S/C18H15FO2/c1-2-16(12-6-4-3-5-7-12)18(21)11-13-10-14(19)8-9-15(13)17(18)20/h2-10,16,21H,1,11H2/t16-,18-/m1/s1
InChIKeyHRMUYFSZOUBEQJ-SJLPKXTDSA-N
MW282.31 g/mol
LogP3.27
Rot. Bonds3

About (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one

(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one (PubChem CID 134963170) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
PubChem CID134963170
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one
SMILESC=C[C@H](c1ccccc1)[C@]1(O)Cc2cc(F)ccc2C1=O
InChIInChI=1S/C18H15FO2/c1-2-16(12-6-4-3-5-7-12)18(21)11-13-10-14(19)8-9-15(13)17(18)20/h2-10,16,21H,1,11H2/t16-,18-/m1/s1
InChIKeyHRMUYFSZOUBEQJ-SJLPKXTDSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Hydrindantin
CID 21183
Fluoroninhydrin
CID 15287798
5-Fluoro-2,2-dihydroxyindene-1,3-dione
CID 22361311
Acetic acid, alpha-(p-(3-indanon-1-yl)phenyl)-
CID 51431
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CID 766079
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]ethanone
CID 59492519
4-Benzoyl-1-indancarboxylic acid
CID 162149
1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(2-oxo-1,2-diphenylethyl)-
CID 3054055
4-Fluoro-3-oxo-1-phenyl-1-indanecarboxylic acid
CID 3822579
1H-Inden-1-one, 2,3-dihydro-2-hydroxy-
CID 3014017
2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone dihydrate
CID 23216254
2-hydroxy-2-(2-hydroxy-6-oxo-1-cyclohexen-1-yl)-1H-indene-1,3(2H)-dione
CID 671255

Frequently Asked Questions

What is the IUPAC name of (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one?
The IUPAC name of (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one (CID 134963170) is (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one.
What is the SMILES notation for (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one?
The canonical SMILES for (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one is C=C[C@H](c1ccccc1)[C@]1(O)Cc2cc(F)ccc2C1=O.
What is the InChIKey of (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one?
The InChIKey is HRMUYFSZOUBEQJ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H15FO2/c1-2-16(12-6-4-3-5-7-12)18(21)11-13-10-14(19)8-9-15(13)17(18)20/h2-10,16,21H,1,11H2/t16-,18-/m1/s1.
What are the key properties of (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one?
(2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one has a molecular weight of 282.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-fluoro-2-hydroxy-2-[(1R)-1-phenylprop-2-enyl]-3H-inden-1-one is sourced from PubChem (CID 134963170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).