4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene

C15H14Br2O2 — CID 43141621

IUPAC4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2ccc(Br)cc2CBr)c1
InChIInChI=1S/C15H14Br2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyDOPRXMCUJFEXHK-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.93
Rot. Bonds5

About 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene

4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene (PubChem CID 43141621) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
PubChem CID43141621
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
SMILESCOc1cccc(COc2ccc(Br)cc2CBr)c1
InChIInChI=1S/C15H14Br2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,9-10H2,1H3
InChIKeyDOPRXMCUJFEXHK-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
(1R)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 63365872
(1S)-1-[5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanol
CID 78932276
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63536193
5-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339533
4-bromo-1-methoxy-2-[(3-methoxyphenoxy)methyl]benzene
CID 60666586
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
4-bromo-2-[(3-ethylphenoxy)methyl]-1-methoxybenzene
CID 63457370
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene?
The IUPAC name of 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene (CID 43141621) is 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene is COc1cccc(COc2ccc(Br)cc2CBr)c1.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene?
The InChIKey is DOPRXMCUJFEXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(17)8-12(15)9-16/h2-8H,9-10H2,1H3.
What are the key properties of 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene?
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene has a molecular weight of 386.08 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 43141621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).