2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene

C12H15BrO2 — CID 24721947

IUPAC2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
SMILESC=C(Br)CCc1cc(OC)ccc1OC
InChIInChI=1S/C12H15BrO2/c1-9(13)4-5-10-8-11(14-2)6-7-12(10)15-3/h6-8H,1,4-5H2,2-3H3
InChIKeyRUUJVFAMPFLIFT-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene

2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene (PubChem CID 24721947) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
PubChem CID24721947
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
SMILESC=C(Br)CCc1cc(OC)ccc1OC
InChIInChI=1S/C12H15BrO2/c1-9(13)4-5-10-8-11(14-2)6-7-12(10)15-3/h6-8H,1,4-5H2,2-3H3
InChIKeyRUUJVFAMPFLIFT-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
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N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
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2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene (CID 24721947) is 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene is C=C(Br)CCc1cc(OC)ccc1OC.
What is the InChIKey of 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene?
The InChIKey is RUUJVFAMPFLIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9(13)4-5-10-8-11(14-2)6-7-12(10)15-3/h6-8H,1,4-5H2,2-3H3.
What are the key properties of 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene?
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene has a molecular weight of 271.15 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 24721947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).