1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene

C17H12BrFO — CID 129119409

IUPAC1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1ccc(Br)cc1F
InChIInChI=1S/C17H12BrFO/c1-20-16-9-6-11-4-2-3-5-13(11)17(16)14-8-7-12(18)10-15(14)19/h2-10H,1H3
InChIKeyCWXURVXEZNMBOS-UHFFFAOYSA-N
MW331.18 g/mol
LogP5.42
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene

1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene (PubChem CID 129119409) has the molecular formula C17H12BrFO and a molecular weight of 331.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene
PubChem CID129119409
Molecular FormulaC17H12BrFO
Molecular Weight331.18 g/mol
Exact Mass330.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1-c1ccc(Br)cc1F
InChIInChI=1S/C17H12BrFO/c1-20-16-9-6-11-4-2-3-5-13(11)17(16)14-8-7-12(18)10-15(14)19/h2-10H,1H3
InChIKeyCWXURVXEZNMBOS-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-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene (CID 129119409) is 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene is COc1ccc2ccccc2c1-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene?
The InChIKey is CWXURVXEZNMBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO/c1-20-16-9-6-11-4-2-3-5-13(11)17(16)14-8-7-12(18)10-15(14)19/h2-10H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene?
1-(4-bromo-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-(4-bromo-2-fluorophenyl)-2-methoxynaphthalene is sourced from PubChem (CID 129119409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).