1-bromo-4-(2,3-dimethoxypropoxy)benzene

C11H15BrO3 — CID 67740400

IUPAC1-bromo-4-(2,3-dimethoxypropoxy)benzene
SMILESCOCC(COc1ccc(Br)cc1)OC
InChIInChI=1S/C11H15BrO3/c1-13-7-11(14-2)8-15-10-5-3-9(12)4-6-10/h3-6,11H,7-8H2,1-2H3
InChIKeyRDBMHPJGNVYEKK-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.49
Rot. Bonds6

About 1-bromo-4-(2,3-dimethoxypropoxy)benzene

1-bromo-4-(2,3-dimethoxypropoxy)benzene (PubChem CID 67740400) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-bromo-4-(2,3-dimethoxypropoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(2,3-dimethoxypropoxy)benzene
PubChem CID67740400
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-bromo-4-(2,3-dimethoxypropoxy)benzene
SMILESCOCC(COc1ccc(Br)cc1)OC
InChIInChI=1S/C11H15BrO3/c1-13-7-11(14-2)8-15-10-5-3-9(12)4-6-10/h3-6,11H,7-8H2,1-2H3
InChIKeyRDBMHPJGNVYEKK-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
CID 161260305
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-bromo-4-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
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5-[4-(5-amino-2-methoxypentoxy)phenoxy]-4-methoxypentan-1-amine
CID 139812707
[3-[4-(2,3-dimethoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium
CID 10815218
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
N-(4-bromophenyl)-4-(2-methylpropoxy)-N-[4-(2-methylpropoxy)phenyl]aniline
CID 90278077
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
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2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,3-dimethoxypropoxy)benzene?
The IUPAC name of 1-bromo-4-(2,3-dimethoxypropoxy)benzene (CID 67740400) is 1-bromo-4-(2,3-dimethoxypropoxy)benzene.
What is the SMILES notation for 1-bromo-4-(2,3-dimethoxypropoxy)benzene?
The canonical SMILES for 1-bromo-4-(2,3-dimethoxypropoxy)benzene is COCC(COc1ccc(Br)cc1)OC.
What is the InChIKey of 1-bromo-4-(2,3-dimethoxypropoxy)benzene?
The InChIKey is RDBMHPJGNVYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-13-7-11(14-2)8-15-10-5-3-9(12)4-6-10/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 1-bromo-4-(2,3-dimethoxypropoxy)benzene?
1-bromo-4-(2,3-dimethoxypropoxy)benzene has a molecular weight of 275.14 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2,3-dimethoxypropoxy)benzene is sourced from PubChem (CID 67740400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).