(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one

C16H19FO2 — CID 134954057

IUPAC(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(F)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H19FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h4-5,8-9,11,14,18H,1-3,6-7,10H2/t14-,16-/m1/s1
InChIKeyGYLKMPCSXIYINK-GDBMZVCRSA-N
MW262.32 g/mol
LogP3.07
Rot. Bonds2

About (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one

(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one (PubChem CID 134954057) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one
PubChem CID134954057
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(F)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H19FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h4-5,8-9,11,14,18H,1-3,6-7,10H2/t14-,16-/m1/s1
InChIKeyGYLKMPCSXIYINK-GDBMZVCRSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-phenyl-1H-indene-1,3(2H)-dione
CID 3035279
2-(1-Hydroxy-3-phenylpropyl)naphthalene-1,4-dione
CID 71652350
3-Hydroxy-1,5-diphenyl-1-pentanone
CID 11021438
(S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-hydroxymethyl-5,7-dimethyl-1H-inden-1-one
CID 5320785
PHENINDIONE_met001
CID 74966460
(2S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-1H-inden-1-one
CID 169739
Methanone, (2-hydroxycyclohexyl)phenyl-
CID 9942468
2-(4-Fluorophenyl)-2-(hydroxymethyl)indene-1,3-dione
CID 5085883
3-Hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-2,3-dihydroinden-1-one
CID 44409480
1-[4-(4-Fluoro-2-methylphenyl)phenyl]-6-hydroxyhexan-1-one
CID 49865989
(2S,3R)-2-(hydroxymethyl)spiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
CID 127038877
2,2-Difluoro-3-hydroxy-1,5-diphenylpentan-1-one
CID 164671793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one?
The IUPAC name of (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one (CID 134954057) is (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one.
What is the SMILES notation for (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one?
The canonical SMILES for (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one is O=C1c2ccccc2C[C@@]1(F)[C@H](O)C1CCCCC1.
What is the InChIKey of (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one?
The InChIKey is GYLKMPCSXIYINK-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H19FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h4-5,8-9,11,14,18H,1-3,6-7,10H2/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one?
(2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one has a molecular weight of 262.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]-2-fluoro-3H-inden-1-one is sourced from PubChem (CID 134954057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).