1-bromo-2-[(E)-but-2-enoxy]benzene

C10H11BrO — CID 13357581

IUPAC1-bromo-2-[(E)-but-2-enoxy]benzene
SMILESC/C=C/COc1ccccc1Br
InChIInChI=1S/C10H11BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+
InChIKeyGWGOPJUHSUCEJB-NSCUHMNNSA-N
MW227.10 g/mol
LogP3.40
Rot. Bonds3

About 1-bromo-2-[(E)-but-2-enoxy]benzene

1-bromo-2-[(E)-but-2-enoxy]benzene (PubChem CID 13357581) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-2-[(E)-but-2-enoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(E)-but-2-enoxy]benzene
PubChem CID13357581
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-2-[(E)-but-2-enoxy]benzene
SMILESC/C=C/COc1ccccc1Br
InChIInChI=1S/C10H11BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+
InChIKeyGWGOPJUHSUCEJB-NSCUHMNNSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[(E)-but-2-enoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-[(E)-4-bromobut-2-enoxy]benzene
CID 102582229
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
but-2-enoxybenzene
CID 564963
1-[(E)-but-2-enoxy]-4-methoxynaphthalene
CID 134894339
1-[2-[(E)-but-2-enoxy]phenyl]-N-methylmethanimine oxide
CID 121011082
(2-bromophenoxy)methanamine
CID 57278354
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
1-[2-[(E)-but-2-enoxy]-6-chlorophenyl]-N-methylmethanamine
CID 114318815

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(E)-but-2-enoxy]benzene?
The IUPAC name of 1-bromo-2-[(E)-but-2-enoxy]benzene (CID 13357581) is 1-bromo-2-[(E)-but-2-enoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(E)-but-2-enoxy]benzene?
The canonical SMILES for 1-bromo-2-[(E)-but-2-enoxy]benzene is C/C=C/COc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(E)-but-2-enoxy]benzene?
The InChIKey is GWGOPJUHSUCEJB-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h2-7H,8H2,1H3/b3-2+.
What are the key properties of 1-bromo-2-[(E)-but-2-enoxy]benzene?
1-bromo-2-[(E)-but-2-enoxy]benzene has a molecular weight of 227.10 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(E)-but-2-enoxy]benzene is sourced from PubChem (CID 13357581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).