1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene

C20H24Br2O4 — CID 59116280

IUPAC1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESBrCc1ccc(OCCOCCOCCOc2ccc(CBr)cc2)cc1
InChIInChI=1S/C20H24Br2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16H2
InChIKeyAEPNCVOAAFXURI-UHFFFAOYSA-N
MW488.22 g/mol
LogP4.97
Rot. Bonds13

About 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene

1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene (PubChem CID 59116280) has the molecular formula C20H24Br2O4 and a molecular weight of 488.22 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
PubChem CID59116280
Molecular FormulaC20H24Br2O4
Molecular Weight488.22 g/mol
Exact Mass486.00
IUPAC Name1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
SMILESBrCc1ccc(OCCOCCOCCOc2ccc(CBr)cc2)cc1
InChIInChI=1S/C20H24Br2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16H2
InChIKeyAEPNCVOAAFXURI-UHFFFAOYSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.22
LogP ≤ 54.97
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'}

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Related Compounds

[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-bromo-4-[2-[2-(bromomethoxy)ethoxy]ethoxy]benzene
CID 172635256
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116
1-(bromomethyl)-4-(3,3-dimethylbutoxy)benzene
CID 63534329
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
1-(bromomethyl)-4-[2-(cyclohexa-1,5-dien-1-ylmethoxy)ethoxy]benzene
CID 177328448
1-(bromomethyl)-4-[2-(4-methylphenyl)ethoxy]benzene
CID 59435282
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-(bromomethyl)-4-(2-phenoxyethyl)benzene
CID 174666948
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene (CID 59116280) is 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene is BrCc1ccc(OCCOCCOCCOc2ccc(CBr)cc2)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene?
The InChIKey is AEPNCVOAAFXURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O4/c21-15-17-1-5-19(6-2-17)25-13-11-23-9-10-24-12-14-26-20-7-3-18(16-22)4-8-20/h1-8H,9-16H2.
What are the key properties of 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene?
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene has a molecular weight of 488.22 g/mol, XLogP of 4.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 59116280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).