2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene

C16H16Br2O2 — CID 135207242

IUPAC2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene
SMILESCc1ccc(OCCOCc2ccccc2Br)c(Br)c1
InChIInChI=1S/C16H16Br2O2/c1-12-6-7-16(15(18)10-12)20-9-8-19-11-13-4-2-3-5-14(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyTYHCCZZELHLEIA-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.12
Rot. Bonds6

About 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene

2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene (PubChem CID 135207242) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene
PubChem CID135207242
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene
SMILESCc1ccc(OCCOCc2ccccc2Br)c(Br)c1
InChIInChI=1S/C16H16Br2O2/c1-12-6-7-16(15(18)10-12)20-9-8-19-11-13-4-2-3-5-14(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyTYHCCZZELHLEIA-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene 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

1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene?
The IUPAC name of 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene (CID 135207242) is 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene is Cc1ccc(OCCOCc2ccccc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene?
The InChIKey is TYHCCZZELHLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-12-6-7-16(15(18)10-12)20-9-8-19-11-13-4-2-3-5-14(13)17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene?
2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene has a molecular weight of 400.11 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene is sourced from PubChem (CID 135207242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).