1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene

C20H24Br2O3 — CID 56976327

IUPAC1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene
SMILESCOCC(Cc1ccccc1Br)OC(COC)Cc1ccccc1Br
InChIInChI=1S/C20H24Br2O3/c1-23-13-17(11-15-7-3-5-9-19(15)21)25-18(14-24-2)12-16-8-4-6-10-20(16)22/h3-10,17-18H,11-14H2,1-2H3
InChIKeyRBVCYOOQVZXKNO-UHFFFAOYSA-N
MW472.22 g/mol
LogP5.04
Rot. Bonds10

About 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene

1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene (PubChem CID 56976327) has the molecular formula C20H24Br2O3 and a molecular weight of 472.22 g/mol. Its IUPAC name is 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene
PubChem CID56976327
Molecular FormulaC20H24Br2O3
Molecular Weight472.22 g/mol
Exact Mass470.01
IUPAC Name1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene
SMILESCOCC(Cc1ccccc1Br)OC(COC)Cc1ccccc1Br
InChIInChI=1S/C20H24Br2O3/c1-23-13-17(11-15-7-3-5-9-19(15)21)25-18(14-24-2)12-16-8-4-6-10-20(16)22/h3-10,17-18H,11-14H2,1-2H3
InChIKeyRBVCYOOQVZXKNO-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.22
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene?
The IUPAC name of 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene (CID 56976327) is 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene.
What is the SMILES notation for 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene?
The canonical SMILES for 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene is COCC(Cc1ccccc1Br)OC(COC)Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene?
The InChIKey is RBVCYOOQVZXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O3/c1-23-13-17(11-15-7-3-5-9-19(15)21)25-18(14-24-2)12-16-8-4-6-10-20(16)22/h3-10,17-18H,11-14H2,1-2H3.
What are the key properties of 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene?
1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene has a molecular weight of 472.22 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[1-(2-bromophenyl)-3-methoxypropan-2-yl]oxy-3-methoxypropyl]benzene is sourced from PubChem (CID 56976327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).