1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene

C15H14Br2O3 — CID 83140157

IUPAC1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
SMILESCOc1cccc(Br)c1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2O3/c1-18-14-4-2-3-13(17)15(14)20-10-9-19-12-7-5-11(16)6-8-12/h2-8H,9-10H2,1H3
InChIKeyQLVUIRKRDRGZKG-UHFFFAOYSA-N
MW402.08 g/mol
LogP4.68
Rot. Bonds6

About 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene

1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene (PubChem CID 83140157) has the molecular formula C15H14Br2O3 and a molecular weight of 402.08 g/mol. Its IUPAC name is 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
PubChem CID83140157
Molecular FormulaC15H14Br2O3
Molecular Weight402.08 g/mol
Exact Mass399.93
IUPAC Name1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
SMILESCOc1cccc(Br)c1OCCOc1ccc(Br)cc1
InChIInChI=1S/C15H14Br2O3/c1-18-14-4-2-3-13(17)15(14)20-10-9-19-12-7-5-11(16)6-8-12/h2-8H,9-10H2,1H3
InChIKeyQLVUIRKRDRGZKG-UHFFFAOYSA-N
XLogP4.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.08
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 63534182
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
4-[2-(2,6-dibromophenoxy)ethoxy]aniline
CID 43366084
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
1-bromo-2,3-dipropoxybenzene
CID 91157628

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene?
The IUPAC name of 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene (CID 83140157) is 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene?
The canonical SMILES for 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene is COc1cccc(Br)c1OCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene?
The InChIKey is QLVUIRKRDRGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O3/c1-18-14-4-2-3-13(17)15(14)20-10-9-19-12-7-5-11(16)6-8-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene?
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene has a molecular weight of 402.08 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene is sourced from PubChem (CID 83140157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).