8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane

C14H17BrO2 — CID 10402350

IUPAC8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane
SMILESBrc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17BrO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2
InChIKeyHOTMLVRRXAEMKZ-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.85
Rot. Bonds1

About 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane

8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 10402350) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID10402350
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane
SMILESBrc1ccc(C2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H17BrO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2
InChIKeyHOTMLVRRXAEMKZ-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,8R)-8-[(4-bromophenyl)methyl]-2,7-dioxabicyclo[3.2.1]octane
CID 44604514
2-(4-Bromophenyl)-2-phenyl-1,3-dioxolane
CID 3847523
8-Phenyl-1,4-dioxaspiro[4,5]decane
CID 10878623
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 12834404
7-(4-Bromo-2,5-difluorophenyl)-1,4-dioxaspiro[4.4]nonane
CID 14770852
8-(3-Fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 18787926
2-[3-(4-Bromo-2-fluorophenyl)propyl]-1,3-dioxolane
CID 68574881
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
7-Bromo-9-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 91265049
8-(4-Bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 132051876
8-(2-Fluorophenyl)-1,4-dioxaspiro[4.5]decane
CID 133063442

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane (CID 10402350) is 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane is Brc1ccc(C2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HOTMLVRRXAEMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2.
What are the key properties of 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane?
8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 297.19 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10402350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).