1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene

C14H19BrO2 — CID 106203735

IUPAC1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(Br)c(COCCC2CCC2)c1
InChIInChI=1S/C14H19BrO2/c1-16-13-5-6-14(15)12(9-13)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyZZXXHXOGSLIOPA-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.16
Rot. Bonds6

About 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene

1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene (PubChem CID 106203735) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
PubChem CID106203735
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(Br)c(COCCC2CCC2)c1
InChIInChI=1S/C14H19BrO2/c1-16-13-5-6-14(15)12(9-13)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyZZXXHXOGSLIOPA-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65326004
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 65323609
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
[4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexyl]methanol
CID 106825540

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene (CID 106203735) is 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene is COc1ccc(Br)c(COCCC2CCC2)c1.
What is the InChIKey of 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene?
The InChIKey is ZZXXHXOGSLIOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-13-5-6-14(15)12(9-13)10-17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene?
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene has a molecular weight of 299.21 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 106203735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).