(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one

C16H14O2 — CID 156789508

IUPAC(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
SMILESC[C@]1(c2ccccc2)C(=O)c2ccccc2[C@H]1O
InChIInChI=1S/C16H14O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14,17H,1H3/t14-,16-/m1/s1
InChIKeyPIWCCDHTKCFFRO-GDBMZVCRSA-N
MW238.29 g/mol
LogP2.87
Rot. Bonds1

About (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one

(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one (PubChem CID 156789508) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
PubChem CID156789508
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
SMILESC[C@]1(c2ccccc2)C(=O)c2ccccc2[C@H]1O
InChIInChI=1S/C16H14O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14,17H,1H3/t14-,16-/m1/s1
InChIKeyPIWCCDHTKCFFRO-GDBMZVCRSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1aS,7S,7aS)-7-hydroxy-7a-methyl-1a,7-dihydronaphtho[2,3-b]oxiren-2-one
CID 132602227
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314
2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
CID 70396828
7a-acetyl-7-hydroxy-1a,7-dihydronaphtho[2,3-b]oxiren-2-one
CID 5079136
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
CID 125117217
benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate
CID 53388428
(1S,3R,3'R)-1,3'-dihydroxyspiro[1H-2-benzofuran-3,2'-3H-indene]-1'-one
CID 51357623
(3S,4R)-2,3-dimethyl-1-oxo-3-phenyl-4H-isoquinoline-4-carboxylic acid
CID 101416255
(1S,3S)-1,3-dimethyl-2-phenyl-1,3-dihydroinden-2-ol
CID 10537911
(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one
CID 139048215
3-benzyl-2,2-dimethyl-3H-inden-1-one
CID 177395573

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one (CID 156789508) is (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one is C[C@]1(c2ccccc2)C(=O)c2ccccc2[C@H]1O.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one?
The InChIKey is PIWCCDHTKCFFRO-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H14O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10,14,17H,1H3/t14-,16-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one?
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one has a molecular weight of 238.29 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one is sourced from PubChem (CID 156789508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).