(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one

C9H6BrClO — CID 177207093

IUPAC(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(Cl)cc2C[C@H]1Br
InChIInChI=1S/C9H6BrClO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1
InChIKeyXNTGHLJYUJLXQE-MRVPVSSYSA-N
MW245.50 g/mol
LogP2.84
Rot. Bonds

About (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one

(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one (PubChem CID 177207093) has the molecular formula C9H6BrClO and a molecular weight of 245.50 g/mol. Its IUPAC name is (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
PubChem CID177207093
Molecular FormulaC9H6BrClO
Molecular Weight245.50 g/mol
Exact Mass243.93
IUPAC Name(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(Cl)cc2C[C@H]1Br
InChIInChI=1S/C9H6BrClO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1
InChIKeyXNTGHLJYUJLXQE-MRVPVSSYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-5-methyl-2,3-dihydroinden-1-one
CID 177205826
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
2-(6-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 18424529
6-bromo-3-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 82024126
2-bromo-5-chloro-6-methylsulfonyl-2,3-dihydroinden-1-one
CID 18407239
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)methyl]isoindole-1,3-dione
CID 18790724
2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate
CID 18471042
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
ethyl 2-(2-bromo-1-oxo-2,3-dihydroinden-5-yl)acetate
CID 18790671
4-bromo-7-chloro-3,4-dihydro-2H-1-benzoxepin-5-one
CID 70250695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one (CID 177207093) is (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one is O=C1c2ccc(Cl)cc2C[C@H]1Br.
What is the InChIKey of (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one?
The InChIKey is XNTGHLJYUJLXQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H6BrClO/c10-8-4-5-3-6(11)1-2-7(5)9(8)12/h1-3,8H,4H2/t8-/m1/s1.
What are the key properties of (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one?
(2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one has a molecular weight of 245.50 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-5-chloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 177207093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).