2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane

C12H13BrO2 — CID 10612013

IUPAC2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane
SMILESBrc1ccc(C2CC3(C2)OCCO3)cc1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8H2
InChIKeyIFBMVAQFCUKVOL-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.07
Rot. Bonds1

About 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane

2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane (PubChem CID 10612013) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane.

Molecular Properties

Compound Name2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane
PubChem CID10612013
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane
SMILESBrc1ccc(C2CC3(C2)OCCO3)cc1
InChIInChI=1S/C12H13BrO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8H2
InChIKeyIFBMVAQFCUKVOL-UHFFFAOYSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
3-(4-Bromophenyl)tetrahydrofuran
CID 66521185
(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane
CID 44604514
8-(4-Bromophenyl)-1,4-dioxaspiro[4.5]decane
CID 10402350
7-(4-Bromo-2,5-difluorophenyl)-1,4-dioxaspiro[4.4]nonane
CID 14770852
2-[3-(4-Bromo-2-fluorophenyl)propyl]-1,3-dioxolane
CID 68574881
2-(2-(4-Bromo-2-fluorophenyl)-2-propenyl)-1,3-dioxolane
CID 69075966
2-(2-(4-Bromo-2-fluorophenyl)propyl)-1,3-dioxolane
CID 69076126
2-[2-(4-Bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-dioxolane
CID 90436338
1-Bromo-4-[3-(2-fluoroethoxy)cyclobutyl]benzene
CID 130246299
8-(4-Bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 132051876
2-(2-Bromophenethyl)-1,3-dioxolane
CID 11010615

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane?
The IUPAC name of 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane (CID 10612013) is 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane.
What is the SMILES notation for 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane?
The canonical SMILES for 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane is Brc1ccc(C2CC3(C2)OCCO3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane?
The InChIKey is IFBMVAQFCUKVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c13-11-3-1-9(2-4-11)10-7-12(8-10)14-5-6-15-12/h1-4,10H,5-8H2.
What are the key properties of 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane?
2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane has a molecular weight of 269.14 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane is sourced from PubChem (CID 10612013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).