1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene

C17H12BrFO — CID 165084325

IUPAC1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1c(F)cccc1Br
InChIInChI=1S/C17H12BrFO/c1-20-15-10-9-11-5-2-3-6-12(11)16(15)17-13(18)7-4-8-14(17)19/h2-10H,1H3
InChIKeyZQVRQXGWZDVNFE-UHFFFAOYSA-N
MW331.18 g/mol
LogP5.42
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene

1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene (PubChem CID 165084325) has the molecular formula C17H12BrFO and a molecular weight of 331.18 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
PubChem CID165084325
Molecular FormulaC17H12BrFO
Molecular Weight331.18 g/mol
Exact Mass330.01
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1c(F)cccc1Br
InChIInChI=1S/C17H12BrFO/c1-20-15-10-9-11-5-2-3-6-12(11)16(15)17-13(18)7-4-8-14(17)19/h2-10H,1H3
InChIKeyZQVRQXGWZDVNFE-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.18
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
1-(2,4-dimethoxyphenyl)-2-fluoronaphthalene
CID 130198538
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
1-fluoro-2-(2-methoxy-6-methylphenyl)naphthalene
CID 165003096
1-(2-bromonaphthalen-1-yl)-2-(2-methoxyphenyl)naphthalene
CID 72545963
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
CID 118507663
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
CID 66297989
[3-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-trimethylsilane
CID 175847366

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene (CID 165084325) is 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene is COc1ccc2ccccc2c1-c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene?
The InChIKey is ZQVRQXGWZDVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO/c1-20-15-10-9-11-5-2-3-6-12(11)16(15)17-13(18)7-4-8-14(17)19/h2-10H,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene?
1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene has a molecular weight of 331.18 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-methoxynaphthalene is sourced from PubChem (CID 165084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).