2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene

C26H26Br4O4 — CID 71329132

IUPAC2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene
SMILESBrCc1cccc(CBr)c1OCCOc1ccccc1OCCOc1c(CBr)cccc1CBr
InChIInChI=1S/C26H26Br4O4/c27-15-19-5-3-6-20(16-28)25(19)33-13-11-31-23-9-1-2-10-24(23)32-12-14-34-26-21(17-29)7-4-8-22(26)18-30/h1-10H,11-18H2
InChIKeyYDJRLCYKQXSJRC-UHFFFAOYSA-N
MW722.11 g/mol
LogP8.18
Rot. Bonds14

About 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene

2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene (PubChem CID 71329132) has the molecular formula C26H26Br4O4 and a molecular weight of 722.11 g/mol. Its IUPAC name is 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene.

Molecular Properties

Compound Name2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene
PubChem CID71329132
Molecular FormulaC26H26Br4O4
Molecular Weight722.11 g/mol
Exact Mass717.86
IUPAC Name2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene
SMILESBrCc1cccc(CBr)c1OCCOc1ccccc1OCCOc1c(CBr)cccc1CBr
InChIInChI=1S/C26H26Br4O4/c27-15-19-5-3-6-20(16-28)25(19)33-13-11-31-23-9-1-2-10-24(23)32-12-14-34-26-21(17-29)7-4-8-22(26)18-30/h1-10H,11-18H2
InChIKeyYDJRLCYKQXSJRC-UHFFFAOYSA-N
XLogP8.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.11
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)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

1-(bromomethyl)-3-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54957915
1-(bromomethyl)-2-propoxybenzene
CID 43141572
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
1-(bromomethyl)-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 63534182
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
1-(bromomethyl)-3-chloro-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454047
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
CID 64567747
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
1-(bromomethyl)-3-ethoxy-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103410402

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene?
The IUPAC name of 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene (CID 71329132) is 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene.
What is the SMILES notation for 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene?
The canonical SMILES for 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene is BrCc1cccc(CBr)c1OCCOc1ccccc1OCCOc1c(CBr)cccc1CBr.
What is the InChIKey of 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene?
The InChIKey is YDJRLCYKQXSJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Br4O4/c27-15-19-5-3-6-20(16-28)25(19)33-13-11-31-23-9-1-2-10-24(23)32-12-14-34-26-21(17-29)7-4-8-22(26)18-30/h1-10H,11-18H2.
What are the key properties of 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene?
2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene has a molecular weight of 722.11 g/mol, XLogP of 8.18, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2,6-bis(bromomethyl)phenoxy]ethoxy]phenoxy]ethoxy]-1,3-bis(bromomethyl)benzene is sourced from PubChem (CID 71329132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).