(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one

C10H10O2 — CID 10534997

IUPAC(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1C(=O)c2ccccc2[C@@H]1O
InChIInChI=1S/C10H10O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6,9,11H,1H3/t6-,9-/m1/s1
InChIKeyAJGXUROZMCIZIY-HZGVNTEJSA-N
MW162.19 g/mol
LogP1.55
Rot. Bonds

About (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one

(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 10534997) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID10534997
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1C(=O)c2ccccc2[C@@H]1O
InChIInChI=1S/C10H10O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6,9,11H,1H3/t6-,9-/m1/s1
InChIKeyAJGXUROZMCIZIY-HZGVNTEJSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-2,3-dihydroinden-1-one
CID 14291532
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
3,4-dimethyl-3,4-dihydronaphthalene-1,2-dione
CID 123539501
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
CID 155678093
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol
CID 102230606
(4S,4aR,10R,10aR)-4,10-dihydroxy-2,2-dimethyl-4,4a,10,10a-tetrahydro-3H-benzo[g]chromen-5-one
CID 10332913
4-methyl-2,3-diphenyl-3,4-dihydro-2H-naphthalen-1-one
CID 132948263
1,2-dimethyl-2,10b-dihydro-1H-fluoranthen-3-one
CID 59943597
2-hydroxyindene-1,3-dione
CID 10219583
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one (CID 10534997) is (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one is C[C@H]1C(=O)c2ccccc2[C@@H]1O.
What is the InChIKey of (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is AJGXUROZMCIZIY-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H10O2/c1-6-9(11)7-4-2-3-5-8(7)10(6)12/h2-6,9,11H,1H3/t6-,9-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one?
(2R,3R)-3-hydroxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.55, 0 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-2,3-dihydroinden-1-one is sourced from PubChem (CID 10534997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).