1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene

C12H15BrO — CID 90007453

IUPAC1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene
SMILESC=Cc1ccc(CCCBr)c(OC)c1
InChIInChI=1S/C12H15BrO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyGZFXXEZWXHHNRU-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene

1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene (PubChem CID 90007453) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene
PubChem CID90007453
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene
SMILESC=Cc1ccc(CCCBr)c(OC)c1
InChIInChI=1S/C12H15BrO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyGZFXXEZWXHHNRU-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1,2-dimethoxybenzene
CID 159733418
2-(4-ethenyl-2-methoxyphenyl)-N-ethyl-N-methylacetamide
CID 176516256
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
2-(4-ethenyl-2-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 176516241
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
N-cyclopentyl-2-(4-ethenyl-2-methoxyphenyl)acetamide
CID 176516245
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
2-(4-ethenyl-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 176516272
2-bromo-1-(3-bromopropyl)-3-methoxybenzene
CID 119022579
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene?
The IUPAC name of 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene (CID 90007453) is 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene.
What is the SMILES notation for 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene?
The canonical SMILES for 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene is C=Cc1ccc(CCCBr)c(OC)c1.
What is the InChIKey of 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene?
The InChIKey is GZFXXEZWXHHNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-3-10-6-7-11(5-4-8-13)12(9-10)14-2/h3,6-7,9H,1,4-5,8H2,2H3.
What are the key properties of 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene?
1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene has a molecular weight of 255.15 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene is sourced from PubChem (CID 90007453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).