1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene

C20H18BrFO — CID 171486262

IUPAC1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
SMILESFc1ccc(COc2ccc3ccccc3c2CCCBr)cc1
InChIInChI=1S/C20H18BrFO/c21-13-3-6-19-18-5-2-1-4-16(18)9-12-20(19)23-14-15-7-10-17(22)11-8-15/h1-2,4-5,7-12H,3,6,13-14H2
InChIKeyCFYWAJYYCJMPBS-UHFFFAOYSA-N
MW373.27 g/mol
LogP5.89
Rot. Bonds6

About 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene

1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene (PubChem CID 171486262) has the molecular formula C20H18BrFO and a molecular weight of 373.27 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
PubChem CID171486262
Molecular FormulaC20H18BrFO
Molecular Weight373.27 g/mol
Exact Mass372.05
IUPAC Name1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
SMILESFc1ccc(COc2ccc3ccccc3c2CCCBr)cc1
InChIInChI=1S/C20H18BrFO/c21-13-3-6-19-18-5-2-1-4-16(18)9-12-20(19)23-14-15-7-10-17(22)11-8-15/h1-2,4-5,7-12H,3,6,13-14H2
InChIKeyCFYWAJYYCJMPBS-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl carbamate
CID 175568006
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834197
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-3-ylmethyl)azanium chloride
CID 44665886
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(pyridin-2-ylmethyl)azanium chloride
CID 44663912
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
4-[[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylazaniumyl]methyl]benzoate
CID 27185359
2-(cyclohexen-1-yl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17210155

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene?
The IUPAC name of 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene (CID 171486262) is 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene.
What is the SMILES notation for 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene?
The canonical SMILES for 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene is Fc1ccc(COc2ccc3ccccc3c2CCCBr)cc1.
What is the InChIKey of 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene?
The InChIKey is CFYWAJYYCJMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFO/c21-13-3-6-19-18-5-2-1-4-16(18)9-12-20(19)23-14-15-7-10-17(22)11-8-15/h1-2,4-5,7-12H,3,6,13-14H2.
What are the key properties of 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene?
1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene has a molecular weight of 373.27 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene is sourced from PubChem (CID 171486262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).