4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene

C11H13BrO2 — CID 59315519

IUPAC4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene
SMILESCO/C=C(\C)c1ccc(Br)cc1OC
InChIInChI=1S/C11H13BrO2/c1-8(7-13-2)10-5-4-9(12)6-11(10)14-3/h4-7H,1-3H3/b8-7+
InChIKeyYSQUBPVOVZXKDQ-BQYQJAHWSA-N
MW257.13 g/mol
LogP3.46
Rot. Bonds3

About 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene

4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene (PubChem CID 59315519) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene
PubChem CID59315519
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene
SMILESCO/C=C(\C)c1ccc(Br)cc1OC
InChIInChI=1S/C11H13BrO2/c1-8(7-13-2)10-5-4-9(12)6-11(10)14-3/h4-7H,1-3H3/b8-7+
InChIKeyYSQUBPVOVZXKDQ-BQYQJAHWSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
methyl 2-(4-bromo-2-methoxybenzoyl)-3-oxobutanoate
CID 66660219
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
(R)-N-[1-(4-bromo-2-methoxyphenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 139531137
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
2,3-dibromo-1-(4-bromo-2-methoxyphenyl)-3-(4-bromophenyl)propan-1-one
CID 171366397

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The IUPAC name of 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene (CID 59315519) is 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene.
What is the SMILES notation for 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The canonical SMILES for 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene is CO/C=C(\C)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene?
The InChIKey is YSQUBPVOVZXKDQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-8(7-13-2)10-5-4-9(12)6-11(10)14-3/h4-7H,1-3H3/b8-7+.
What are the key properties of 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene?
4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene has a molecular weight of 257.13 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-1-[(E)-1-methoxyprop-1-en-2-yl]benzene is sourced from PubChem (CID 59315519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).