1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene

C17H12BrFO — CID 67775982

IUPAC1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1c(-c2ccccc2F)cc2ccccc2c1Br
InChIInChI=1S/C17H12BrFO/c1-20-17-14(13-8-4-5-9-15(13)19)10-11-6-2-3-7-12(11)16(17)18/h2-10H,1H3
InChIKeyNXLLTBZLELHJED-UHFFFAOYSA-N
MW331.18 g/mol
LogP5.42
Rot. Bonds2

About 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene

1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene (PubChem CID 67775982) has the molecular formula C17H12BrFO and a molecular weight of 331.18 g/mol. Its IUPAC name is 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene
PubChem CID67775982
Molecular FormulaC17H12BrFO
Molecular Weight331.18 g/mol
Exact Mass330.01
IUPAC Name1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1c(-c2ccccc2F)cc2ccccc2c1Br
InChIInChI=1S/C17H12BrFO/c1-20-17-14(13-8-4-5-9-15(13)19)10-11-6-2-3-7-12(11)16(17)18/h2-10H,1H3
InChIKeyNXLLTBZLELHJED-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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene?
The IUPAC name of 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene (CID 67775982) is 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene?
The canonical SMILES for 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene is COc1c(-c2ccccc2F)cc2ccccc2c1Br.
What is the InChIKey of 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene?
The InChIKey is NXLLTBZLELHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO/c1-20-17-14(13-8-4-5-9-15(13)19)10-11-6-2-3-7-12(11)16(17)18/h2-10H,1H3.
What are the key properties of 1-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene?
1-bromo-3-(2-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-bromo-3-(2-fluorophenyl)-2-methoxynaphthalene is sourced from PubChem (CID 67775982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).