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

C11H11BrO2 — CID 45158898

IUPAC7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESBrc1cccc2c1CCC21OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-9-8(10)4-5-11(9)13-6-7-14-11/h1-3H,4-7H2
InChIKeyHITPOULJTOZRAU-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.59
Rot. Bonds

About 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 45158898) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID45158898
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESBrc1cccc2c1CCC21OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-9-8(10)4-5-11(9)13-6-7-14-11/h1-3H,4-7H2
InChIKeyHITPOULJTOZRAU-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 7-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-(2-Bromophenyl)-1,3-dioxolane
CID 553534
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
4-Bromo-1,3-dihydroisobenzofuran
CID 74787761
2-(2-Bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
2-[(Z)-2-(2-bromophenyl)ethenyl]-2-phenyl-1,3-dioxolane
CID 54611351
2-(3-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 10709691
5-Bromo-1,4-dihydro-1,4-epoxynaphthalene
CID 15710109
4-Bromo-1-indanyl acetate
CID 19801183
2-(3-Bromo-4-fluorophenyl)-2-methyl-1,3-dioxolane
CID 11129071
2-(2-Bromo-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 22735928
6-Bromo-5-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199438

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 45158898) is 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Brc1cccc2c1CCC21OCCO1.
What is the InChIKey of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is HITPOULJTOZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-3-1-2-9-8(10)4-5-11(9)13-6-7-14-11/h1-3H,4-7H2.
What are the key properties of 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
7-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 7-bromospiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 45158898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).