2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene

C14H19BrO2 — CID 83149195

IUPAC2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)C(C)C2CC2)c1
InChIInChI=1S/C14H19BrO2/c1-9(10-4-5-10)14(15)12-8-11(16-2)6-7-13(12)17-3/h6-10,14H,4-5H2,1-3H3
InChIKeyAQJWKIUENIZGGQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.19
Rot. Bonds5

About 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene

2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene (PubChem CID 83149195) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
PubChem CID83149195
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(C(Br)C(C)C2CC2)c1
InChIInChI=1S/C14H19BrO2/c1-9(10-4-5-10)14(15)12-8-11(16-2)6-7-13(12)17-3/h6-10,14H,4-5H2,1-3H3
InChIKeyAQJWKIUENIZGGQ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(1-bromo-2-cyclopropylpropyl)-1-methoxybenzene
CID 83148078
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
2-(1-chloro-2-cyclopentylethyl)-1,4-dimethoxybenzene
CID 63429282
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene (CID 83149195) is 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene is COc1ccc(OC)c(C(Br)C(C)C2CC2)c1.
What is the InChIKey of 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene?
The InChIKey is AQJWKIUENIZGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-9(10-4-5-10)14(15)12-8-11(16-2)6-7-13(12)17-3/h6-10,14H,4-5H2,1-3H3.
What are the key properties of 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene?
2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 83149195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).