1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene

C11H15BrO2 — CID 83134041

IUPAC1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
SMILESCCOCCOc1ccc(Br)c(C)c1
InChIInChI=1S/C11H15BrO2/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDWPWTTFDVWZIDR-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.17
Rot. Bonds5

About 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene

1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene (PubChem CID 83134041) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
PubChem CID83134041
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene
SMILESCCOCCOc1ccc(Br)c(C)c1
InChIInChI=1S/C11H15BrO2/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyDWPWTTFDVWZIDR-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
CID 83133442
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112781
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
4-(4-bromo-3-methylphenoxy)butane-1-thiol
CID 83134310
3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122878
1-bromo-4-(2,2-diethoxyethoxy)-2-methylbenzene
CID 83141135
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
1-bromo-4-(3-methoxy-3-methylbutoxy)-2-methylbenzene
CID 103033816
1-bromo-2-methyl-4-(3-methylsulfonylpropoxy)benzene
CID 81301844
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene?
The IUPAC name of 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene (CID 83134041) is 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene.
What is the SMILES notation for 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene?
The canonical SMILES for 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene is CCOCCOc1ccc(Br)c(C)c1.
What is the InChIKey of 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene?
The InChIKey is DWPWTTFDVWZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene?
1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene has a molecular weight of 259.14 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-ethoxyethoxy)-2-methylbenzene is sourced from PubChem (CID 83134041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).