2-(5-bromo-2-methoxyphenyl)-1,3-dioxane

C11H13BrO3 — CID 14378759

IUPAC2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
SMILESCOc1ccc(Br)cc1C1OCCCO1
InChIInChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)7-9(10)11-14-5-2-6-15-11/h3-4,7,11H,2,5-6H2,1H3
InChIKeyQYGXFNAOPHJOMY-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.89
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane

2-(5-bromo-2-methoxyphenyl)-1,3-dioxane (PubChem CID 14378759) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
PubChem CID14378759
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
SMILESCOc1ccc(Br)cc1C1OCCCO1
InChIInChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)7-9(10)11-14-5-2-6-15-11/h3-4,7,11H,2,5-6H2,1H3
InChIKeyQYGXFNAOPHJOMY-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(chloromethyl)oxane
CID 79373071
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1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
5-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82160176
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CID 171196708
4-(5-bromo-2-methoxyphenyl)-5-iminoimidazolidin-2-one
CID 138389204
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
9-bromo-5-(2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 75553036
(6S)-2-[3-(1,3-dioxan-2-yl)-4-methoxyphenyl]-4,4,6-trimethyl-1,3,2-dioxaborinane
CID 99866428
3-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
(4aR,5R,10bR)-5-(5-bromo-2-methoxyphenyl)-9-chloro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 126196804

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane (CID 14378759) is 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane is COc1ccc(Br)cc1C1OCCCO1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane?
The InChIKey is QYGXFNAOPHJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-13-10-4-3-8(12)7-9(10)11-14-5-2-6-15-11/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane?
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane has a molecular weight of 273.13 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1,3-dioxane is sourced from PubChem (CID 14378759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).