[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate

C25H19FO3 — CID 67602844

IUPAC[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H19FO3/c1-2-24(27)28-20-12-14-21(15-13-20)29-25-22-6-4-3-5-17(22)9-16-23(25)18-7-10-19(26)11-8-18/h3-16H,2H2,1H3
InChIKeyBGLJTBFPSHTXIP-UHFFFAOYSA-N
MW386.42 g/mol
LogP6.75
Rot. Bonds5

About [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate

[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate (PubChem CID 67602844) has the molecular formula C25H19FO3 and a molecular weight of 386.42 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate
PubChem CID67602844
Molecular FormulaC25H19FO3
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate
SMILESCCC(=O)Oc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H19FO3/c1-2-24(27)28-20-12-14-21(15-13-20)29-25-22-6-4-3-5-17(22)9-16-23(25)18-7-10-19(26)11-8-18/h3-16H,2H2,1H3
InChIKeyBGLJTBFPSHTXIP-UHFFFAOYSA-N
XLogP6.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetomenaphthone
CID 11310
1,4-Dimethoxyanthracene
CID 83107
1-Naphthyl acetate
CID 13247
4-Methyl-2H-benzo[h]chromen-2-one
CID 602862
1,4-Diacetoxynaphthalene
CID 79775
1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
CID 40747
alpha-Naphthyl butyrate
CID 76571
Bunaprolast
CID 68730
Acrylic acid derivative, 14
CID 10136146
Acrylic acid derivative, 16
CID 10273914
4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
CID 54736423
2-Benzylbenzo[f]chromen-3-one
CID 10731937

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The IUPAC name of [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate (CID 67602844) is [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate.
What is the SMILES notation for [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The canonical SMILES for [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate is CCC(=O)Oc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate?
The InChIKey is BGLJTBFPSHTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO3/c1-2-24(27)28-20-12-14-21(15-13-20)29-25-22-6-4-3-5-17(22)9-16-23(25)18-7-10-19(26)11-8-18/h3-16H,2H2,1H3.
What are the key properties of [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate?
[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate has a molecular weight of 386.42 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl] propanoate is sourced from PubChem (CID 67602844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).