1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene

C14H12Br2O2 — CID 11682231

IUPAC1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cc(-c2ccc(Br)c(OC)c2)ccc1Br
InChIInChI=1S/C14H12Br2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3
InChIKeyKFKPPWZNEKLQLF-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.90
Rot. Bonds3

About 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene

1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene (PubChem CID 11682231) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene
PubChem CID11682231
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene
SMILESCOc1cc(-c2ccc(Br)c(OC)c2)ccc1Br
InChIInChI=1S/C14H12Br2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3
InChIKeyKFKPPWZNEKLQLF-UHFFFAOYSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene?
The IUPAC name of 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene (CID 11682231) is 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene is COc1cc(-c2ccc(Br)c(OC)c2)ccc1Br.
What is the InChIKey of 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene?
The InChIKey is KFKPPWZNEKLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3.
What are the key properties of 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene?
1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene has a molecular weight of 372.06 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-3-methoxyphenyl)-2-methoxybenzene is sourced from PubChem (CID 11682231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).