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

C10H11BrO2 — CID 67669903

IUPAC1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1cccc(OCBr)c1
InChIInChI=1S/C10H11BrO2/c1-12-6-5-9-3-2-4-10(7-9)13-8-11/h2-7H,8H2,1H3/b6-5+
InChIKeyUGACAMMKBUUAQV-AATRIKPKSA-N
MW243.10 g/mol
LogP3.03
Rot. Bonds4

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

1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene (PubChem CID 67669903) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
PubChem CID67669903
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1cccc(OCBr)c1
InChIInChI=1S/C10H11BrO2/c1-12-6-5-9-3-2-4-10(7-9)13-8-11/h2-7H,8H2,1H3/b6-5+
InChIKeyUGACAMMKBUUAQV-AATRIKPKSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[(Z)-2-methoxyethenyl]benzene
CID 172866620
1-bromo-3-[(E)-2-methoxyethenyl]benzene
CID 67543608
3-(2-methoxyethenyl)phenol
CID 175460679
1-isocyano-3-[(E)-2-methoxyethenyl]benzene
CID 58423983
3-(2-methoxyethenyl)benzoic acid
CID 70467435
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
1-(2-ethoxyethenyl)-3-[(2-methylpropan-2-yl)oxy]benzene
CID 150613508
2-[[3-[2-[3-methoxy-5-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 154606206
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene?
The IUPAC name of 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene (CID 67669903) is 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene?
The canonical SMILES for 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene is CO/C=C/c1cccc(OCBr)c1.
What is the InChIKey of 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene?
The InChIKey is UGACAMMKBUUAQV-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-12-6-5-9-3-2-4-10(7-9)13-8-11/h2-7H,8H2,1H3/b6-5+.
What are the key properties of 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene?
1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene has a molecular weight of 243.10 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-3-[(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 67669903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).