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

C11H9BrO2 — CID 166068229

IUPAC4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]
SMILESBrc1cccc2c1CC1(C2)OC=CO1
InChIInChI=1S/C11H9BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-5H,6-7H2
InChIKeyWHGMQZJTHUGFFF-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.76
Rot. Bonds

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

4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole] (PubChem CID 166068229) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole].

Molecular Properties

Compound Name4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]
PubChem CID166068229
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]
SMILESBrc1cccc2c1CC1(C2)OC=CO1
InChIInChI=1S/C11H9BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-5H,6-7H2
InChIKeyWHGMQZJTHUGFFF-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole] with MolForge

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Related Compounds

4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
(2-amino-8-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466832
8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
CID 89458507
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466784
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanetriol
CID 91335874
2-bromo-7,7-dichlorobicyclo[4.2.0]octa-1(6),2,4-triene
CID 23628643
1-bromo-9H-xanthene;9H-xanthene
CID 174712211
1-bromo-9,10-dihydrophenanthrene
CID 147917753
5-bromo-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 167736870
4-bromo-5,9-dihydrobenzo[7]annulene-6,7,8-trione
CID 54776316
N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
CID 58467128
7-bromo-2-fluoro-2-iodo-3H-inden-1-one
CID 175574070

Frequently Asked Questions

What is the IUPAC name of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]?
The IUPAC name of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole] (CID 166068229) is 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole].
What is the SMILES notation for 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]?
The canonical SMILES for 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole] is Brc1cccc2c1CC1(C2)OC=CO1.
What is the InChIKey of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]?
The InChIKey is WHGMQZJTHUGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-10-3-1-2-8-6-11(7-9(8)10)13-4-5-14-11/h1-5H,6-7H2.
What are the key properties of 4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole]?
4-bromospiro[1,3-dihydroindene-2,2'-1,3-dioxole] has a molecular weight of 253.09 g/mol, XLogP of 2.76, 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-dioxole] is sourced from PubChem (CID 166068229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).