1-bromo-3-(4-methoxybut-2-en-2-yl)benzene

C11H13BrO — CID 67539212

IUPAC1-bromo-3-(4-methoxybut-2-en-2-yl)benzene
SMILESCOCC=C(C)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-6,8H,7H2,1-2H3
InChIKeyWTZAEGAILSTGMI-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.50
Rot. Bonds3

About 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene

1-bromo-3-(4-methoxybut-2-en-2-yl)benzene (PubChem CID 67539212) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-3-(4-methoxybut-2-en-2-yl)benzene
PubChem CID67539212
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-3-(4-methoxybut-2-en-2-yl)benzene
SMILESCOCC=C(C)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-6,8H,7H2,1-2H3
InChIKeyWTZAEGAILSTGMI-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-(3-bromophenyl)but-2-enyl] methyl carbonate
CID 135376040
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CID 137396567
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CID 138039782
[(E)-4-(3-bromophenyl)-1-[(3S)-3,7-dimethyloct-6-enoxy]-1-phosphonopent-3-enyl]phosphonic acid
CID 72721097
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
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diethyl [(E)-3-(3-phenylphenyl)but-2-enyl] phosphate
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CID 76951500

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene?
The IUPAC name of 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene (CID 67539212) is 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene?
The canonical SMILES for 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene is COCC=C(C)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene?
The InChIKey is WTZAEGAILSTGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-9(6-7-13-2)10-4-3-5-11(12)8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene?
1-bromo-3-(4-methoxybut-2-en-2-yl)benzene has a molecular weight of 241.13 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-methoxybut-2-en-2-yl)benzene is sourced from PubChem (CID 67539212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).