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

C11H11BrO2 — CID 21073391

IUPAC4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
SMILESBrc1cccc2c1CC1(C2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-3H,4-7H2
InChIKeyBVTUZCZXGQZBOI-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.29
Rot. Bonds

About 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]

4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] (PubChem CID 21073391) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane].

Molecular Properties

Compound Name4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
PubChem CID21073391
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]
SMILESBrc1cccc2c1CC1(C2)OCCO1
InChIInChI=1S/C11H11BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-3H,4-7H2
InChIKeyBVTUZCZXGQZBOI-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-5-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199438
5-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 69199578
1,4-Dibromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 121269845
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 122506354
4-Bromo-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 171568072
1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene
CID 2756954
8'-Bromo-3',4'-dihydrospiro-[1,3-dioxolane-2,2'(1h)-naphthalene]
CID 10468278
1',3'-Dihydrospiro[1,3-dioxolane-2,2'-indene]
CID 12446331
2-(3-Bromo-2-methylphenyl)-2-methyl-1,3-dioxolane
CID 21391733
5-Bromo-1,1-(ethylenedioxo)-indane
CID 45158894
6-Bromo-indan-1-one 1,2-ethanediol ketal
CID 45158897
2-Methyl-4-bromo-1-indanone ethylene ketal
CID 57214909

Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The IUPAC name of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] (CID 21073391) is 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane].
What is the SMILES notation for 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The canonical SMILES for 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] is Brc1cccc2c1CC1(C2)OCCO1.
What is the InChIKey of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
The InChIKey is BVTUZCZXGQZBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-3H,4-7H2.
What are the key properties of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane]?
4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] has a molecular weight of 255.11 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxolane] is sourced from PubChem (CID 21073391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).