7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C12H13BrO2 — CID 57214909

IUPAC7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCC1Cc2c(Br)cccc2C12OCCO2
InChIInChI=1S/C12H13BrO2/c1-8-7-9-10(3-2-4-11(9)13)12(8)14-5-6-15-12/h2-4,8H,5-7H2,1H3
InChIKeyXXLDWHIFHDSLOD-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.84
Rot. Bonds

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

7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 57214909) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID57214909
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCC1Cc2c(Br)cccc2C12OCCO2
InChIInChI=1S/C12H13BrO2/c1-8-7-9-10(3-2-4-11(9)13)12(8)14-5-6-15-12/h2-4,8H,5-7H2,1H3
InChIKeyXXLDWHIFHDSLOD-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] with MolForge

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Related Compounds

2-(2-Bromophenyl)-2-methyl-1,3-dioxolane
CID 615284
4-Bromo-1-indanyl acetate
CID 19801183
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
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-1-carbonitrile
CID 117942150
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
(1R)-4-bromo-1-(1-methoxyethoxy)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 132127347
2-(3-Bromo-6-fluoro-2-methylphenyl)-1,3-dioxolane
CID 135277012
4-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxole]
CID 141436563
7-Bromo-2-fluoro-3,3-dimethoxy-4-methyl-1,2-dihydroindene
CID 166755331
4-Bromo-6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
CID 171568072

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 57214909) is 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is CC1Cc2c(Br)cccc2C12OCCO2.
What is the InChIKey of 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is XXLDWHIFHDSLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-8-7-9-10(3-2-4-11(9)13)12(8)14-5-6-15-12/h2-4,8H,5-7H2,1H3.
What are the key properties of 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 269.14 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 57214909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).