1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene

C20H18BrFO — CID 177327080

IUPAC1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene
SMILESFC(COCc1ccccc1)Cc1cccc2cccc(Br)c12
InChIInChI=1S/C20H18BrFO/c21-19-11-5-9-16-8-4-10-17(20(16)19)12-18(22)14-23-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2
InChIKeyMNOHCZDGQBAKJU-UHFFFAOYSA-N
MW373.27 g/mol
LogP5.70
Rot. Bonds6

About 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene

1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene (PubChem CID 177327080) has the molecular formula C20H18BrFO and a molecular weight of 373.27 g/mol. Its IUPAC name is 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene.

Molecular Properties

Compound Name1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene
PubChem CID177327080
Molecular FormulaC20H18BrFO
Molecular Weight373.27 g/mol
Exact Mass372.05
IUPAC Name1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene
SMILESFC(COCc1ccccc1)Cc1cccc2cccc(Br)c12
InChIInChI=1S/C20H18BrFO/c21-19-11-5-9-16-8-4-10-17(20(16)19)12-18(22)14-23-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2
InChIKeyMNOHCZDGQBAKJU-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.27
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene?
The IUPAC name of 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene (CID 177327080) is 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene.
What is the SMILES notation for 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene?
The canonical SMILES for 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene is FC(COCc1ccccc1)Cc1cccc2cccc(Br)c12.
What is the InChIKey of 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene?
The InChIKey is MNOHCZDGQBAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFO/c21-19-11-5-9-16-8-4-10-17(20(16)19)12-18(22)14-23-13-15-6-2-1-3-7-15/h1-11,18H,12-14H2.
What are the key properties of 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene?
1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene has a molecular weight of 373.27 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene is sourced from PubChem (CID 177327080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).