2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol

C24H18Br4O4 — CID 155589383

IUPAC2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1cc(Br)c2cc(Br)ccc2c1-c1c(OCCO)cc(Br)c2cc(Br)ccc12
InChIInChI=1S/C24H18Br4O4/c25-13-1-3-15-17(9-13)19(27)11-21(31-7-5-29)23(15)24-16-4-2-14(26)10-18(16)20(28)12-22(24)32-8-6-30/h1-4,9-12,29-30H,5-8H2
InChIKeyRRODABILRAJETE-UHFFFAOYSA-N
MW690.02 g/mol
LogP7.45
Rot. Bonds7

About 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol

2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol (PubChem CID 155589383) has the molecular formula C24H18Br4O4 and a molecular weight of 690.02 g/mol. Its IUPAC name is 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
PubChem CID155589383
Molecular FormulaC24H18Br4O4
Molecular Weight690.02 g/mol
Exact Mass685.79
IUPAC Name2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
SMILESOCCOc1cc(Br)c2cc(Br)ccc2c1-c1c(OCCO)cc(Br)c2cc(Br)ccc12
InChIInChI=1S/C24H18Br4O4/c25-13-1-3-15-17(9-13)19(27)11-21(31-7-5-29)23(15)24-16-4-2-14(26)10-18(16)20(28)12-22(24)32-8-6-30/h1-4,9-12,29-30H,5-8H2
InChIKeyRRODABILRAJETE-UHFFFAOYSA-N
XLogP7.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.02
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol 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 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol (CID 155589383) is 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol is OCCOc1cc(Br)c2cc(Br)ccc2c1-c1c(OCCO)cc(Br)c2cc(Br)ccc12.
What is the InChIKey of 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
The InChIKey is RRODABILRAJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br4O4/c25-13-1-3-15-17(9-13)19(27)11-21(31-7-5-29)23(15)24-16-4-2-14(26)10-18(16)20(28)12-22(24)32-8-6-30/h1-4,9-12,29-30H,5-8H2.
What are the key properties of 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol?
2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol has a molecular weight of 690.02 g/mol, XLogP of 7.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dibromo-1-[4,6-dibromo-2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 155589383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).