(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one

C10H9BrO — CID 86316397

IUPAC(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@@H]1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H9BrO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyGMJKJIUETGRADG-ZCFIWIBFSA-N
MW225.08 g/mol
LogP2.82
Rot. Bonds

About (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one

(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one (PubChem CID 86316397) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
PubChem CID86316397
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@@H]1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C10H9BrO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1
InChIKeyGMJKJIUETGRADG-ZCFIWIBFSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
2-methyl-3-oxo-1,2-dihydroindene-5-sulfinate
CID 123699882
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
(2S)-6-bromo-2-but-2-enyl-2,3-dihydroinden-1-one
CID 67714171
(2R)-7-bromo-2-tert-butyl-3,4-dihydro-2H-naphthalen-1-one
CID 124565300
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
5-bromo-2-methyl-1,2,6,7,8,9-hexahydrocyclopenta[a]naphthalen-3-one;2-methyl-1,2,6,7,8,9-hexahydrocyclopenta[a]naphthalen-3-one
CID 159493149
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
6-[(4-ethylphenyl)methoxy]-2-methyl-2,3-dihydroinden-1-one
CID 154192333
6-methyltetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8-trien-5-one
CID 178126148
(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
CID 166448024
2-bromo-5-methyl-4,5-dihydrocyclopenta[b]thiophen-6-one
CID 131606917

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one (CID 86316397) is (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one is C[C@@H]1Cc2ccc(Br)cc2C1=O.
What is the InChIKey of (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is GMJKJIUETGRADG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9BrO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one?
(2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 225.08 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 86316397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).