2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene

C22H16Br2O — CID 170843154

IUPAC2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene
SMILESBrc1ccc2cc(COCc3ccc4cc(Br)ccc4c3)ccc2c1
InChIInChI=1S/C22H16Br2O/c23-21-7-5-17-9-15(1-3-19(17)11-21)13-25-14-16-2-4-20-12-22(24)8-6-18(20)10-16/h1-12H,13-14H2
InChIKeyQISCGNNJBIXDEF-UHFFFAOYSA-N
MW456.18 g/mol
LogP7.23
Rot. Bonds4

About 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene

2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene (PubChem CID 170843154) has the molecular formula C22H16Br2O and a molecular weight of 456.18 g/mol. Its IUPAC name is 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene.

Molecular Properties

Compound Name2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene
PubChem CID170843154
Molecular FormulaC22H16Br2O
Molecular Weight456.18 g/mol
Exact Mass453.96
IUPAC Name2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene
SMILESBrc1ccc2cc(COCc3ccc4cc(Br)ccc4c3)ccc2c1
InChIInChI=1S/C22H16Br2O/c23-21-7-5-17-9-15(1-3-19(17)11-21)13-25-14-16-2-4-20-12-22(24)8-6-18(20)10-16/h1-12H,13-14H2
InChIKeyQISCGNNJBIXDEF-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.18
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene 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-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene?
The IUPAC name of 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene (CID 170843154) is 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene.
What is the SMILES notation for 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene?
The canonical SMILES for 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene is Brc1ccc2cc(COCc3ccc4cc(Br)ccc4c3)ccc2c1.
What is the InChIKey of 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene?
The InChIKey is QISCGNNJBIXDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2O/c23-21-7-5-17-9-15(1-3-19(17)11-21)13-25-14-16-2-4-20-12-22(24)8-6-18(20)10-16/h1-12H,13-14H2.
What are the key properties of 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene?
2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene has a molecular weight of 456.18 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene is sourced from PubChem (CID 170843154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).