1-bromo-3-[(E)-2-methoxyethenyl]benzene

C9H9BrO — CID 67543608

IUPAC1-bromo-3-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1cccc(Br)c1
InChIInChI=1S/C9H9BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+
InChIKeyFVSTVZSIXPIPTN-AATRIKPKSA-N
MW213.07 g/mol
LogP3.07
Rot. Bonds2

About 1-bromo-3-[(E)-2-methoxyethenyl]benzene

1-bromo-3-[(E)-2-methoxyethenyl]benzene (PubChem CID 67543608) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-bromo-3-[(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(E)-2-methoxyethenyl]benzene
PubChem CID67543608
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-bromo-3-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1cccc(Br)c1
InChIInChI=1S/C9H9BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+
InChIKeyFVSTVZSIXPIPTN-AATRIKPKSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[(Z)-2-methoxyethenyl]benzene
CID 172866620
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
3-(2-methoxyethenyl)phenol
CID 175460679
3-[(E)-2-methoxyethenyl]aniline
CID 71681260
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
CID 67669903
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
1-isocyano-3-[(E)-2-methoxyethenyl]benzene
CID 58423983
methyl 4-(3-bromophenyl)-2-oxobut-3-enoate
CID 70700454
3-(2-methoxyethenyl)benzoic acid
CID 70467435

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(E)-2-methoxyethenyl]benzene?
The IUPAC name of 1-bromo-3-[(E)-2-methoxyethenyl]benzene (CID 67543608) is 1-bromo-3-[(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for 1-bromo-3-[(E)-2-methoxyethenyl]benzene?
The canonical SMILES for 1-bromo-3-[(E)-2-methoxyethenyl]benzene is CO/C=C/c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(E)-2-methoxyethenyl]benzene?
The InChIKey is FVSTVZSIXPIPTN-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9BrO/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+.
What are the key properties of 1-bromo-3-[(E)-2-methoxyethenyl]benzene?
1-bromo-3-[(E)-2-methoxyethenyl]benzene has a molecular weight of 213.07 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 67543608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).