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

C23H16BrFO — CID 54333612

IUPAC2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1cc(OCc2ccccc2)ccc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C23H16BrFO/c24-20-9-8-17-12-19(7-6-18(17)13-20)22-11-10-21(14-23(22)25)26-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyTTWXAKQOYVTPNC-UHFFFAOYSA-N
MW407.28 g/mol
LogP6.99
Rot. Bonds4

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

2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene (PubChem CID 54333612) has the molecular formula C23H16BrFO and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene
PubChem CID54333612
Molecular FormulaC23H16BrFO
Molecular Weight407.28 g/mol
Exact Mass406.04
IUPAC Name2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1cc(OCc2ccccc2)ccc1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C23H16BrFO/c24-20-9-8-17-12-19(7-6-18(17)13-20)22-11-10-21(14-23(22)25)26-15-16-4-2-1-3-5-16/h1-14H,15H2
InChIKeyTTWXAKQOYVTPNC-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-(2-fluoro-4-phenylmethoxyphenyl)naphthalene?
The IUPAC name of 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene (CID 54333612) is 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene?
The canonical SMILES for 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene is Fc1cc(OCc2ccccc2)ccc1-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene?
The InChIKey is TTWXAKQOYVTPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFO/c24-20-9-8-17-12-19(7-6-18(17)13-20)22-11-10-21(14-23(22)25)26-15-16-4-2-1-3-5-16/h1-14H,15H2.
What are the key properties of 2-bromo-6-(2-fluoro-4-phenylmethoxyphenyl)naphthalene?
2-bromo-6-(2-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-(2-fluoro-4-phenylmethoxyphenyl)naphthalene is sourced from PubChem (CID 54333612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).