1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene

C12H15BrO2 — CID 102380603

IUPAC1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene
SMILESC=C(Br)CC(OC)c1ccc(OC)cc1
InChIInChI=1S/C12H15BrO2/c1-9(13)8-12(15-3)10-4-6-11(14-2)7-5-10/h4-7,12H,1,8H2,2-3H3
InChIKeyYIESVOYNLMOWAZ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.68
Rot. Bonds5

About 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene

1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene (PubChem CID 102380603) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene
PubChem CID102380603
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene
SMILESC=C(Br)CC(OC)c1ccc(OC)cc1
InChIInChI=1S/C12H15BrO2/c1-9(13)8-12(15-3)10-4-6-11(14-2)7-5-10/h4-7,12H,1,8H2,2-3H3
InChIKeyYIESVOYNLMOWAZ-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
4-methoxy-1,4-bis(4-methoxyphenyl)butan-1-one
CID 15310595
bicyclo[2.2.2]octa-1,3,5-triene;1-(1-ethoxy-3-methylbut-3-enyl)-4-methoxybenzene
CID 175432888
1-methoxy-4-(1-methoxy-3-nitrobutyl)benzene
CID 15473959
methyl 4-(4-methoxyphenyl)-2-methylidene-4-tris(trimethylsilyl)silyloxybutanoate
CID 10624664
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
1-[2-bromo-1-(2-methylpropoxy)ethyl]-4-methoxybenzene
CID 62112200
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienoic acid;hydrochloride
CID 173099337

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene?
The IUPAC name of 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene (CID 102380603) is 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene is C=C(Br)CC(OC)c1ccc(OC)cc1.
What is the InChIKey of 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene?
The InChIKey is YIESVOYNLMOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9(13)8-12(15-3)10-4-6-11(14-2)7-5-10/h4-7,12H,1,8H2,2-3H3.
What are the key properties of 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene?
1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene has a molecular weight of 271.15 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methoxybut-3-enyl)-4-methoxybenzene is sourced from PubChem (CID 102380603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).