4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid

C25H24FNO3 — CID 118326609

IUPAC4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C25H24FNO3/c26-21-10-13-24(19-8-6-18(7-9-19)17-4-5-17)20(14-21)16-30-23-12-11-22(27-15-23)2-1-3-25(28)29/h6-15,17H,1-5,16H2,(H,28,29)
InChIKeyXLEIGOURPSDGRN-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.75
Rot. Bonds9

About 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid

4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid (PubChem CID 118326609) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid
PubChem CID118326609
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid
SMILESO=C(O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C25H24FNO3/c26-21-10-13-24(19-8-6-18(7-9-19)17-4-5-17)20(14-21)16-30-23-12-11-22(27-15-23)2-1-3-25(28)29/h6-15,17H,1-5,16H2,(H,28,29)
InChIKeyXLEIGOURPSDGRN-UHFFFAOYSA-N
XLogP5.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 16110444
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CID 145955958
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CID 53321816
CID 53321816
CID 57705806
CID 57705806
CID 57706227
CID 57706227
CID 59132740
CID 59132740
CID 86343792
CID 86343792
CID 90405670
CID 90405670
CID 90406418
CID 90406418
CID 118145020
CID 118145020
CID 118145140
CID 118145140
CID 118637996
CID 118637996

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid?
The IUPAC name of 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid (CID 118326609) is 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid?
The canonical SMILES for 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid is O=C(O)CCCc1ccc(OCc2cc(F)ccc2-c2ccc(C3CC3)cc2)cn1.
What is the InChIKey of 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid?
The InChIKey is XLEIGOURPSDGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3/c26-21-10-13-24(19-8-6-18(7-9-19)17-4-5-17)20(14-21)16-30-23-12-11-22(27-15-23)2-1-3-25(28)29/h6-15,17H,1-5,16H2,(H,28,29).
What are the key properties of 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid?
4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid has a molecular weight of 405.47 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(4-cyclopropylphenyl)-5-fluorophenyl]methoxy]-2-pyridinyl]butanoic acid is sourced from PubChem (CID 118326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).