2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane

C14H17BrO2 — CID 54485916

IUPAC2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane
SMILESBrc1ccc2c(c1)CCC2OC1CCCCO1
InChIInChI=1S/C14H17BrO2/c15-11-5-6-12-10(9-11)4-7-13(12)17-14-3-1-2-8-16-14/h5-6,9,13-14H,1-4,7-8H2
InChIKeyXSGZKHKMOJIEQL-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.98
Rot. Bonds2

About 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane

2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane (PubChem CID 54485916) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane
PubChem CID54485916
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane
SMILESBrc1ccc2c(c1)CCC2OC1CCCCO1
InChIInChI=1S/C14H17BrO2/c15-11-5-6-12-10(9-11)4-7-13(12)17-14-3-1-2-8-16-14/h5-6,9,13-14H,1-4,7-8H2
InChIKeyXSGZKHKMOJIEQL-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
2-[(4-Bromophenyl)methoxy]oxane
CID 598168
(1R,4S)-7-bromo-4-fluoro-1-methoxy-3,4-dihydro-1H-isochromene
CID 164674223
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
2-[(7-Bromo-2,2-difluoro-1,3-dihydroinden-1-yl)oxy]oxane
CID 117736860
2-[(7-Bromo-2,2,5-trifluoro-1,3-dihydroinden-1-yl)oxy]oxane
CID 117736928
2-[(2,2-Difluoro-1,3-dihydroinden-1-yl)oxy]oxane
CID 142724427
2-[[5-Bromo-2-(bromomethyl)-4-fluorophenyl]methoxy]oxane
CID 156307308
CID 156731392
CID 156731392
3-bromo-5-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 172487303
5-bromo-1-(difluoromethoxy)-2,3-dihydro-1H-indene
CID 176221821

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane (CID 54485916) is 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane is Brc1ccc2c(c1)CCC2OC1CCCCO1.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane?
The InChIKey is XSGZKHKMOJIEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-11-5-6-12-10(9-11)4-7-13(12)17-14-3-1-2-8-16-14/h5-6,9,13-14H,1-4,7-8H2.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane?
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane has a molecular weight of 297.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy]oxane is sourced from PubChem (CID 54485916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).