3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid

C25H19FO3 — CID 70016102

IUPAC3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H19FO3/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-6,8-15H,7,16H2,(H,27,28)
InChIKeyPRDUSBKCQHTADN-UHFFFAOYSA-N
MW386.42 g/mol
LogP6.46
Rot. Bonds6

About 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid

3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid (PubChem CID 70016102) has the molecular formula C25H19FO3 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid
PubChem CID70016102
Molecular FormulaC25H19FO3
Molecular Weight386.42 g/mol
Exact Mass386.13
IUPAC Name3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid
SMILESO=C(O)CCc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C25H19FO3/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-6,8-15H,7,16H2,(H,27,28)
InChIKeyPRDUSBKCQHTADN-UHFFFAOYSA-N
XLogP6.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid (CID 70016102) is 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid is O=C(O)CCc1ccc(Oc2c(-c3ccc(F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid?
The InChIKey is PRDUSBKCQHTADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO3/c26-20-11-8-19(9-12-20)23-15-10-18-3-1-2-4-22(18)25(23)29-21-13-5-17(6-14-21)7-16-24(27)28/h1-6,8-15H,7,16H2,(H,27,28).
What are the key properties of 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid?
3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid has a molecular weight of 386.42 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-fluorophenyl)naphthalen-1-yl]oxyphenyl]propanoic acid is sourced from PubChem (CID 70016102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).