2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane

C12H13BrO2 — CID 59799526

IUPAC2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane
SMILESBrc1cc2c(cc1C1OCCO1)CCC2
InChIInChI=1S/C12H13BrO2/c13-11-7-9-3-1-2-8(9)6-10(11)12-14-4-5-15-12/h6-7,12H,1-5H2
InChIKeyLCLCRLORMZAXNX-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.98
Rot. Bonds1

About 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane

2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane (PubChem CID 59799526) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane
PubChem CID59799526
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane
SMILESBrc1cc2c(cc1C1OCCO1)CCC2
InChIInChI=1S/C12H13BrO2/c13-11-7-9-3-1-2-8(9)6-10(11)12-14-4-5-15-12/h6-7,12H,1-5H2
InChIKeyLCLCRLORMZAXNX-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane (CID 59799526) is 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane is Brc1cc2c(cc1C1OCCO1)CCC2.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane?
The InChIKey is LCLCRLORMZAXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-7-9-3-1-2-8(9)6-10(11)12-14-4-5-15-12/h6-7,12H,1-5H2.
What are the key properties of 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane?
2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane has a molecular weight of 269.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolane is sourced from PubChem (CID 59799526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).