6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

C22H16Br2O2 — CID 2794073

IUPAC6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1-c1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C22H16Br2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,1-2H3
InChIKeyUOJOTOKUVNPQNZ-UHFFFAOYSA-N
MW472.18 g/mol
LogP7.20
Rot. Bonds3

About 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (PubChem CID 2794073) has the molecular formula C22H16Br2O2 and a molecular weight of 472.18 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
PubChem CID2794073
Molecular FormulaC22H16Br2O2
Molecular Weight472.18 g/mol
Exact Mass469.95
IUPAC Name6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1ccc2cc(Br)ccc2c1-c1c(OC)ccc2cc(Br)ccc12
InChIInChI=1S/C22H16Br2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,1-2H3
InChIKeyUOJOTOKUVNPQNZ-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.18
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The IUPAC name of 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (CID 2794073) is 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.
What is the SMILES notation for 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The canonical SMILES for 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is COc1ccc2cc(Br)ccc2c1-c1c(OC)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The InChIKey is UOJOTOKUVNPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2O2/c1-25-19-9-3-13-11-15(23)5-7-17(13)21(19)22-18-8-6-16(24)12-14(18)4-10-20(22)26-2/h3-12H,1-2H3.
What are the key properties of 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene has a molecular weight of 472.18 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is sourced from PubChem (CID 2794073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).