1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene

C14H20Br2O2 — CID 66042497

IUPAC1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
SMILESCOCCOCCC(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20Br2O2/c1-17-8-9-18-7-6-13(11-15)10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyWLRAWDXDHGPQCY-UHFFFAOYSA-N
MW380.12 g/mol
LogP4.06
Rot. Bonds9

About 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene

1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene (PubChem CID 66042497) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
PubChem CID66042497
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
SMILESCOCCOCCC(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20Br2O2/c1-17-8-9-18-7-6-13(11-15)10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyWLRAWDXDHGPQCY-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-[(4-bromophenyl)methyl]-4-methoxybutan-1-amine
CID 62529185
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
1-[2-(bromomethyl)-4-propoxybutyl]-4-fluorobenzene
CID 106459629
1-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181430
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257
2-[(3-bromophenyl)methyl]-4-(2-methoxyethoxy)butan-1-ol
CID 66058450
1-bromo-4-[2-(bromomethyl)decyl]benzene
CID 66042495
1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
CID 104650707
1-bromo-3-[2-(bromomethyl)-4-propoxybutyl]benzene
CID 106459640

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene?
The IUPAC name of 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene (CID 66042497) is 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene is COCCOCCC(CBr)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene?
The InChIKey is WLRAWDXDHGPQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-17-8-9-18-7-6-13(11-15)10-12-2-4-14(16)5-3-12/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene?
1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene has a molecular weight of 380.12 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene is sourced from PubChem (CID 66042497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).