2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene

C11H13BrO2 — CID 118268661

IUPAC2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
SMILESC=Cc1cccc(OCCOC)c1Br
InChIInChI=1S/C11H13BrO2/c1-3-9-5-4-6-10(11(9)12)14-8-7-13-2/h3-6H,1,7-8H2,2H3
InChIKeySOVHRIQOYJGKGW-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.12
Rot. Bonds5

About 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene

2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene (PubChem CID 118268661) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
PubChem CID118268661
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene
SMILESC=Cc1cccc(OCCOC)c1Br
InChIInChI=1S/C11H13BrO2/c1-3-9-5-4-6-10(11(9)12)14-8-7-13-2/h3-6H,1,7-8H2,2H3
InChIKeySOVHRIQOYJGKGW-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.12
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

2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
1-(2-bromo-3-ethenylphenoxy)propan-2-yl hypoiodite
CID 139384145
2-bromo-3-(2-methoxyethoxy)benzonitrile
CID 172915395
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
1-[(E)-4-bromobut-1-enyl]-2-(2-methoxyethoxy)benzene
CID 104663298
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
1-ethenyl-5-(2-ethoxyethoxy)naphthalene
CID 68829960
2-bromo-3-(2-fluoroethoxy)benzaldehyde
CID 170993640
methyl 2-(2-bromo-3-formylphenoxy)acetate
CID 59515358
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene (CID 118268661) is 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene is C=Cc1cccc(OCCOC)c1Br.
What is the InChIKey of 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene?
The InChIKey is SOVHRIQOYJGKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-3-9-5-4-6-10(11(9)12)14-8-7-13-2/h3-6H,1,7-8H2,2H3.
What are the key properties of 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene?
2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene has a molecular weight of 257.13 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethenyl-3-(2-methoxyethoxy)benzene is sourced from PubChem (CID 118268661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).