1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene

C15H23BrO2 — CID 64998942

IUPAC1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
SMILESCCOc1ccc(OCC(CC)(CC)CBr)cc1
InChIInChI=1S/C15H23BrO2/c1-4-15(5-2,11-16)12-18-14-9-7-13(8-10-14)17-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyKFOYLWALQOVUIQ-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.67
Rot. Bonds8

About 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene

1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene (PubChem CID 64998942) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
PubChem CID64998942
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
SMILESCCOc1ccc(OCC(CC)(CC)CBr)cc1
InChIInChI=1S/C15H23BrO2/c1-4-15(5-2,11-16)12-18-14-9-7-13(8-10-14)17-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyKFOYLWALQOVUIQ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.67
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-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
2-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]acetonitrile
CID 64999046
1-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]propan-2-one
CID 113322922
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
3-[2-(bromomethyl)-2-ethylbutoxy]benzonitrile
CID 64998411
1-[2-(bromomethyl)-2-ethylbutoxy]-3-ethylbenzene
CID 64998790
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-[2-(bromomethyl)-2-propylpentoxy]-4-butan-2-ylbenzene
CID 107664467
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111067
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
1-[2-(bromomethyl)-2-propylpentoxy]-4-(2-methoxyethyl)benzene
CID 65006234
4-[2-(bromomethyl)-2-propylpentoxy]benzamide
CID 65005743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene (CID 64998942) is 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene is CCOc1ccc(OCC(CC)(CC)CBr)cc1.
What is the InChIKey of 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene?
The InChIKey is KFOYLWALQOVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-4-15(5-2,11-16)12-18-14-9-7-13(8-10-14)17-6-3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene?
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene has a molecular weight of 315.25 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene is sourced from PubChem (CID 64998942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).