1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene

C14H10Br2Cl2O — CID 59330945

IUPAC1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene
SMILESClc1ccc(CCOc2cc(Br)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10Br2Cl2O/c15-10-5-11(16)7-13(6-10)19-4-3-9-1-2-12(17)8-14(9)18/h1-2,5-8H,3-4H2
InChIKeyOHPXCYCTCVVMDU-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.14
Rot. Bonds4

About 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene

1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene (PubChem CID 59330945) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene
PubChem CID59330945
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene
SMILESClc1ccc(CCOc2cc(Br)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C14H10Br2Cl2O/c15-10-5-11(16)7-13(6-10)19-4-3-9-1-2-12(17)8-14(9)18/h1-2,5-8H,3-4H2
InChIKeyOHPXCYCTCVVMDU-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene?
The IUPAC name of 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene (CID 59330945) is 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene.
What is the SMILES notation for 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene?
The canonical SMILES for 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene is Clc1ccc(CCOc2cc(Br)cc(Br)c2)c(Cl)c1.
What is the InChIKey of 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene?
The InChIKey is OHPXCYCTCVVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c15-10-5-11(16)7-13(6-10)19-4-3-9-1-2-12(17)8-14(9)18/h1-2,5-8H,3-4H2.
What are the key properties of 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene?
1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene has a molecular weight of 424.95 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[2-(2,4-dichlorophenyl)ethoxy]benzene is sourced from PubChem (CID 59330945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).