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

C13H19BrO2 — CID 61084489

IUPAC2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
SMILESCCC(C)C(Br)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-5-9(2)13(14)11-8-10(15-3)6-7-12(11)16-4/h6-9,13H,5H2,1-4H3
InChIKeyCYKRFSPGYLZNAC-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.19
Rot. Bonds5

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

2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene (PubChem CID 61084489) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
PubChem CID61084489
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
SMILESCCC(C)C(Br)c1cc(OC)ccc1OC
InChIInChI=1S/C13H19BrO2/c1-5-9(2)13(14)11-8-10(15-3)6-7-12(11)16-4/h6-9,13H,5H2,1-4H3
InChIKeyCYKRFSPGYLZNAC-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
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

2-(1-bromo-2-cyclopropylpropyl)-1,4-dimethoxybenzene
CID 83149195
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene (CID 61084489) is 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene is CCC(C)C(Br)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene?
The InChIKey is CYKRFSPGYLZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-5-9(2)13(14)11-8-10(15-3)6-7-12(11)16-4/h6-9,13H,5H2,1-4H3.
What are the key properties of 2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene?
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene has a molecular weight of 287.20 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-methylbutyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 61084489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).