4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane

C15H21BrO3 — CID 113369276

IUPAC4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
SMILESCOc1ccc(Br)c(COC2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H21BrO3/c1-10-6-14(7-11(2)19-10)18-9-12-8-13(17-3)4-5-15(12)16/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyKIAAOYOQNXZPAS-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.93
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane

4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane (PubChem CID 113369276) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
PubChem CID113369276
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane
SMILESCOc1ccc(Br)c(COC2CC(C)OC(C)C2)c1
InChIInChI=1S/C15H21BrO3/c1-10-6-14(7-11(2)19-10)18-9-12-8-13(17-3)4-5-15(12)16/h4-5,8,10-11,14H,6-7,9H2,1-3H3
InChIKeyKIAAOYOQNXZPAS-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
2-[(2-bromo-5-methoxyphenyl)methoxy]-2,3-dihydro-1H-indene
CID 169291898
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540
4-[(2-bromo-3-fluorophenyl)methoxy]-2,6-dimethyloxane
CID 113369277
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
(3aR,5R,6R,6aR)-6-[(2-bromo-5-methoxyphenyl)methoxy]-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11143505
1-(2-bromo-5-methoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168715
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
2-(2-bromo-5-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 114973642

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane (CID 113369276) is 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane is COc1ccc(Br)c(COC2CC(C)OC(C)C2)c1.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane?
The InChIKey is KIAAOYOQNXZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-10-6-14(7-11(2)19-10)18-9-12-8-13(17-3)4-5-15(12)16/h4-5,8,10-11,14H,6-7,9H2,1-3H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane?
4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane has a molecular weight of 329.23 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methoxy]-2,6-dimethyloxane is sourced from PubChem (CID 113369276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).