1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene

C14H10Br4O3 — CID 11978812

IUPAC1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
SMILESCOc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C14H10Br4O3/c1-19-11-5-7(15)4-10(18)14(11)21-12-6-8(16)3-9(17)13(12)20-2/h3-6H,1-2H3
InChIKeyRUJCIUYVRUQTQY-UHFFFAOYSA-N
MW545.85 g/mol
LogP6.55
Rot. Bonds4

About 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene

1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene (PubChem CID 11978812) has the molecular formula C14H10Br4O3 and a molecular weight of 545.85 g/mol. Its IUPAC name is 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
PubChem CID11978812
Molecular FormulaC14H10Br4O3
Molecular Weight545.85 g/mol
Exact Mass541.74
IUPAC Name1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
SMILESCOc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1OC
InChIInChI=1S/C14H10Br4O3/c1-19-11-5-7(15)4-10(18)14(11)21-12-6-8(16)3-9(17)13(12)20-2/h3-6H,1-2H3
InChIKeyRUJCIUYVRUQTQY-UHFFFAOYSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.85
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene?
The IUPAC name of 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene (CID 11978812) is 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene.
What is the SMILES notation for 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene?
The canonical SMILES for 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene is COc1cc(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1OC.
What is the InChIKey of 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene?
The InChIKey is RUJCIUYVRUQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O3/c1-19-11-5-7(15)4-10(18)14(11)21-12-6-8(16)3-9(17)13(12)20-2/h3-6H,1-2H3.
What are the key properties of 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene?
1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene has a molecular weight of 545.85 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene is sourced from PubChem (CID 11978812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).