2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene

C14H20Br2O2 — CID 104662326

IUPAC2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
SMILESCCCCC(Br)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C14H20Br2O2/c1-3-4-5-12(15)11-6-7-14(13(16)10-11)18-9-8-17-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyOPUDMWYPUXALRU-UHFFFAOYSA-N
MW380.12 g/mol
LogP5.10
Rot. Bonds8

About 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene

2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene (PubChem CID 104662326) has the molecular formula C14H20Br2O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
PubChem CID104662326
Molecular FormulaC14H20Br2O2
Molecular Weight380.12 g/mol
Exact Mass377.98
IUPAC Name2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
SMILESCCCCC(Br)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C14H20Br2O2/c1-3-4-5-12(15)11-6-7-14(13(16)10-11)18-9-8-17-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyOPUDMWYPUXALRU-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.12
LogP ≤ 55.10
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'}

Analyze 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(1-bromononyl)-1-propoxybenzene
CID 104662164
2-bromo-4-(1-bromoheptyl)-1-ethoxybenzene
CID 114753725
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpropan-1-amine
CID 104658275
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
CID 104662297

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene (CID 104662326) is 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene is CCCCC(Br)c1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene?
The InChIKey is OPUDMWYPUXALRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2O2/c1-3-4-5-12(15)11-6-7-14(13(16)10-11)18-9-8-17-2/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene?
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene has a molecular weight of 380.12 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 104662326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).