2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene

C23H16BrFO — CID 54161443

IUPAC2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1cc(-c2ccc3cc(Br)ccc3c2)ccc1OCc1ccccc1
InChIInChI=1S/C23H16BrFO/c24-21-10-8-18-12-17(6-7-19(18)13-21)20-9-11-23(22(25)14-20)26-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyOORPSYGOUNVRRR-UHFFFAOYSA-N
MW407.28 g/mol
LogP6.99
Rot. Bonds4

About 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene

2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene (PubChem CID 54161443) has the molecular formula C23H16BrFO and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene
PubChem CID54161443
Molecular FormulaC23H16BrFO
Molecular Weight407.28 g/mol
Exact Mass406.04
IUPAC Name2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1cc(-c2ccc3cc(Br)ccc3c2)ccc1OCc1ccccc1
InChIInChI=1S/C23H16BrFO/c24-21-10-8-18-12-17(6-7-19(18)13-21)20-9-11-23(22(25)14-20)26-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyOORPSYGOUNVRRR-UHFFFAOYSA-N
XLogP6.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.28
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene?
The IUPAC name of 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene (CID 54161443) is 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene?
The canonical SMILES for 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene is Fc1cc(-c2ccc3cc(Br)ccc3c2)ccc1OCc1ccccc1.
What is the InChIKey of 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene?
The InChIKey is OORPSYGOUNVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFO/c24-21-10-8-18-12-17(6-7-19(18)13-21)20-9-11-23(22(25)14-20)26-15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene?
2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene has a molecular weight of 407.28 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-fluoro-4-phenylmethoxyphenyl)naphthalene is sourced from PubChem (CID 54161443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).