2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane

C11H13BrO3 — CID 66692910

IUPAC2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
SMILESCCOc1cccc(C2OCCO2)c1Br
InChIInChI=1S/C11H13BrO3/c1-2-13-9-5-3-4-8(10(9)12)11-14-6-7-15-11/h3-5,11H,2,6-7H2,1H3
InChIKeyQGYPFOMOQCWEDT-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane

2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane (PubChem CID 66692910) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
PubChem CID66692910
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
SMILESCCOc1cccc(C2OCCO2)c1Br
InChIInChI=1S/C11H13BrO3/c1-2-13-9-5-3-4-8(10(9)12)11-14-6-7-15-11/h3-5,11H,2,6-7H2,1H3
InChIKeyQGYPFOMOQCWEDT-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-[2-bromo-3-[[(2R)-oxiran-2-yl]methoxy]phenyl]-1,3-dioxolane
CID 155128506
2-[2-bromo-3-methoxy-4-(methoxymethoxy)phenyl]-1,3-dioxolane
CID 86225062
2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 67069160
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729
2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde
CID 58404053
2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
CID 170602979
2-[2-(1,3-dioxolan-2-yl)phenoxy]ethanol
CID 170873933
2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
CID 83958937
2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane
CID 83958177
3-[(2R)-4,4-dimethyl-1,3-dioxan-2-yl]-2-ethoxyphenol
CID 123574540
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136
(5S)-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014330

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane (CID 66692910) is 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane is CCOc1cccc(C2OCCO2)c1Br.
What is the InChIKey of 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane?
The InChIKey is QGYPFOMOQCWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-2-13-9-5-3-4-8(10(9)12)11-14-6-7-15-11/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane?
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane has a molecular weight of 273.13 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 66692910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).