(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate

C11H11BrO2 — CID 19801183

IUPAC(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2c(Br)cccc21
InChIInChI=1S/C11H11BrO2/c1-7(13)14-11-6-5-8-9(11)3-2-4-10(8)12/h2-4,11H,5-6H2,1H3
InChIKeyYUPVXAKHJDXRCF-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.00
Rot. Bonds1

About (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate

(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate (PubChem CID 19801183) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate.

Molecular Properties

Compound Name(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate
PubChem CID19801183
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate
SMILESCC(=O)OC1CCc2c(Br)cccc21
InChIInChI=1S/C11H11BrO2/c1-7(13)14-11-6-5-8-9(11)3-2-4-10(8)12/h2-4,11H,5-6H2,1H3
InChIKeyYUPVXAKHJDXRCF-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate?
The IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate (CID 19801183) is (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate.
What is the SMILES notation for (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate?
The canonical SMILES for (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate is CC(=O)OC1CCc2c(Br)cccc21.
What is the InChIKey of (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate?
The InChIKey is YUPVXAKHJDXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7(13)14-11-6-5-8-9(11)3-2-4-10(8)12/h2-4,11H,5-6H2,1H3.
What are the key properties of (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate?
(4-bromo-2,3-dihydro-1H-inden-1-yl) acetate has a molecular weight of 255.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dihydro-1H-inden-1-yl) acetate is sourced from PubChem (CID 19801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).