5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C11H11BrO2 — CID 45158897

IUPAC5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESBrc1ccc2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7H,3-6H2
InChIKeyHGFACNZKELSKHM-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.59
Rot. Bonds

About 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 45158897) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID45158897
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESBrc1ccc2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7H,3-6H2
InChIKeyHGFACNZKELSKHM-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] with MolForge

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
5-Bromo-1,3-dihydro-2-benzofuran
CID 52988095
2-(4-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 3847523
2-(3-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 10709691
4-Bromo-1-indanyl acetate
CID 19801183
6-Bromo-1,4-dihydro-1,4-epoxynaphthalene
CID 71361578
4-(4-Bromophenyl)-4-ethenyl-1,3-dioxolan-2-one
CID 149591077
2-(3-Bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
CID 11129071
2-(4-Bromo-2-fluorophenyl)-2-methyl-1,3-dioxolane
CID 21938512

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 45158897) is 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Brc1ccc2c(c1)C1(CC2)OCCO1.
What is the InChIKey of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is HGFACNZKELSKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-2-1-8-3-4-11(10(8)7-9)13-5-6-14-11/h1-2,7H,3-6H2.
What are the key properties of 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 255.11 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 45158897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).