4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene

C15H14Br2O2 — CID 43324722

IUPAC4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3
InChIKeyJHHLOVQAGUNHHK-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.93
Rot. Bonds5

About 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene

4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene (PubChem CID 43324722) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
PubChem CID43324722
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
SMILESCOc1cc(CBr)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C15H14Br2O2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3
InChIKeyJHHLOVQAGUNHHK-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

4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
4-(bromomethyl)-1-[2-(3-bromophenoxy)ethoxy]-2-methoxybenzene
CID 63535512
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964
(E)-3-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl chloride
CID 91685253
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene (CID 43324722) is 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene is COc1cc(CBr)ccc1OCc1cccc(Br)c1.
What is the InChIKey of 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene?
The InChIKey is JHHLOVQAGUNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-18-15-8-11(9-16)5-6-14(15)19-10-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene?
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene 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-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene is sourced from PubChem (CID 43324722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).