5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene

C11H15BrO2 — CID 67625955

IUPAC5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
SMILESCCOCOc1c(C)cc(Br)cc1C
InChIInChI=1S/C11H15BrO2/c1-4-13-7-14-11-8(2)5-10(12)6-9(11)3/h5-6H,4,7H2,1-3H3
InChIKeyPHEIFKGUJIKKTC-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene

5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene (PubChem CID 67625955) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
PubChem CID67625955
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
SMILESCCOCOc1c(C)cc(Br)cc1C
InChIInChI=1S/C11H15BrO2/c1-4-13-7-14-11-8(2)5-10(12)6-9(11)3/h5-6H,4,7H2,1-3H3
InChIKeyPHEIFKGUJIKKTC-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(ethoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620351
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
5-bromo-2-(3-ethoxypropoxy)-3-methylaniline
CID 79844337
1,3-dibromo-5-(bromomethyl)-2-(ethoxymethoxy)benzene
CID 107745815
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
[5-bromo-2-(3-ethoxypropoxy)-3-methylphenyl]methanamine
CID 112619829
5-bromo-2-(methoxymethoxy)-3-methylaniline
CID 79844363
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
CID 2282940
3-(4-bromo-2,6-dimethylphenoxy)propyl-dimethylazanium
CID 2182043
1-[5-bromo-2-(2-ethoxyethoxy)-3-methylphenyl]propan-2-amine
CID 112621689
3,5-dibromo-4-(ethoxymethoxy)benzoic acid
CID 107738656
3-(4-bromo-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 27047233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene?
The IUPAC name of 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene (CID 67625955) is 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene is CCOCOc1c(C)cc(Br)cc1C.
What is the InChIKey of 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene?
The InChIKey is PHEIFKGUJIKKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-4-13-7-14-11-8(2)5-10(12)6-9(11)3/h5-6H,4,7H2,1-3H3.
What are the key properties of 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene?
5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene has a molecular weight of 259.14 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 67625955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).