2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene

C18H13BrClFO2 — CID 146526254

IUPAC2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene
SMILESCOc1c(Br)ccc2c(OC)c(-c3cccc(Cl)c3F)ccc12
InChIInChI=1S/C18H13BrClFO2/c1-22-17-11(10-4-3-5-15(20)16(10)21)6-7-13-12(17)8-9-14(19)18(13)23-2/h3-9H,1-2H3
InChIKeyWXYZRQFPFWMFQT-UHFFFAOYSA-N
MW395.66 g/mol
LogP6.08
Rot. Bonds3

About 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene

2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene (PubChem CID 146526254) has the molecular formula C18H13BrClFO2 and a molecular weight of 395.66 g/mol. Its IUPAC name is 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene.

Molecular Properties

Compound Name2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene
PubChem CID146526254
Molecular FormulaC18H13BrClFO2
Molecular Weight395.66 g/mol
Exact Mass393.98
IUPAC Name2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene
SMILESCOc1c(Br)ccc2c(OC)c(-c3cccc(Cl)c3F)ccc12
InChIInChI=1S/C18H13BrClFO2/c1-22-17-11(10-4-3-5-15(20)16(10)21)6-7-13-12(17)8-9-14(19)18(13)23-2/h3-9H,1-2H3
InChIKeyWXYZRQFPFWMFQT-UHFFFAOYSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.66
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene?
The IUPAC name of 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene (CID 146526254) is 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene.
What is the SMILES notation for 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene?
The canonical SMILES for 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene is COc1c(Br)ccc2c(OC)c(-c3cccc(Cl)c3F)ccc12.
What is the InChIKey of 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene?
The InChIKey is WXYZRQFPFWMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClFO2/c1-22-17-11(10-4-3-5-15(20)16(10)21)6-7-13-12(17)8-9-14(19)18(13)23-2/h3-9H,1-2H3.
What are the key properties of 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene?
2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene has a molecular weight of 395.66 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-chloro-2-fluorophenyl)-1,5-dimethoxynaphthalene is sourced from PubChem (CID 146526254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).