1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene

C14H21BrO2 — CID 107664512

IUPAC1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCC(CC)CBr)c(OC)c1
InChIInChI=1S/C14H21BrO2/c1-4-11-6-7-13(14(8-11)16-3)17-10-12(5-2)9-15/h6-8,12H,4-5,9-10H2,1-3H3
InChIKeyUYGFOQHUGRESLG-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.06
Rot. Bonds7

About 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene

1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene (PubChem CID 107664512) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
PubChem CID107664512
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
SMILESCCc1ccc(OCC(CC)CBr)c(OC)c1
InChIInChI=1S/C14H21BrO2/c1-4-11-6-7-13(14(8-11)16-3)17-10-12(5-2)9-15/h6-8,12H,4-5,9-10H2,1-3H3
InChIKeyUYGFOQHUGRESLG-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.06
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

1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
1-(4-ethyl-2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 107664454
1-[2-(bromomethyl)butoxy]-2-propoxybenzene
CID 64995150
4-(bromomethyl)-1-methoxy-2-(2-methylbutoxy)benzene
CID 62103662
1-[2-(bromomethyl)butoxy]-2-chloro-4-methylbenzene
CID 64995229
1-[4-[2-(bromomethyl)pentoxy]-3-methoxyphenyl]ethanone
CID 65010866
4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene
CID 91235271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene (CID 107664512) is 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene is CCc1ccc(OCC(CC)CBr)c(OC)c1.
What is the InChIKey of 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene?
The InChIKey is UYGFOQHUGRESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-4-11-6-7-13(14(8-11)16-3)17-10-12(5-2)9-15/h6-8,12H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene?
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene has a molecular weight of 301.22 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene is sourced from PubChem (CID 107664512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).