5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

C12H13BrO2 — CID 69201749

IUPAC5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCc1cc2c(cc1Br)C1(CC2)OCCO1
InChIInChI=1S/C12H13BrO2/c1-8-6-9-2-3-12(14-4-5-15-12)10(9)7-11(8)13/h6-7H,2-5H2,1H3
InChIKeyWANNFFLSNOXJTF-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.90
Rot. Bonds

About 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]

5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (PubChem CID 69201749) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
PubChem CID69201749
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]
SMILESCc1cc2c(cc1Br)C1(CC2)OCCO1
InChIInChI=1S/C12H13BrO2/c1-8-6-9-2-3-12(14-4-5-15-12)10(9)7-11(8)13/h6-7H,2-5H2,1H3
InChIKeyWANNFFLSNOXJTF-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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
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-(7-Bromo-9,9-difluorofluoren-2-yl)-2-methyl-1,3-dioxolane
CID 145082420
2-[3-Bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
CID 146570495
7-bromo-5-methyl-1-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
CID 152007076
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
2-(7-Bromo-9,9-difluorofluoren-2-yl)-1,3-dioxolane
CID 171758092
6-Bromo-7-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbonitrile
CID 172487286
7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
CID 175031708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The IUPAC name of 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] (CID 69201749) is 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane].
What is the SMILES notation for 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The canonical SMILES for 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is Cc1cc2c(cc1Br)C1(CC2)OCCO1.
What is the InChIKey of 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
The InChIKey is WANNFFLSNOXJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-8-6-9-2-3-12(14-4-5-15-12)10(9)7-11(8)13/h6-7H,2-5H2,1H3.
What are the key properties of 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]?
5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] has a molecular weight of 269.14 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylspiro[1,2-dihydroindene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 69201749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).