fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate

C24H22FNO5 — CID 143917769

IUPACfluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate
SMILESCc1cccc(C)c1-c1cccc(COc2ccc(C(CC(=O)OF)OC=O)cn2)c1
InChIInChI=1S/C24H22FNO5/c1-16-5-3-6-17(2)24(16)19-8-4-7-18(11-19)14-29-22-10-9-20(13-26-22)21(30-15-27)12-23(28)31-25/h3-11,13,15,21H,12,14H2,1-2H3
InChIKeyRXZIHGHYZCITKH-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.98
Rot. Bonds9

About fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate

fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate (PubChem CID 143917769) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate.

Molecular Properties

Compound Namefluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate
PubChem CID143917769
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Namefluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate
SMILESCc1cccc(C)c1-c1cccc(COc2ccc(C(CC(=O)OF)OC=O)cn2)c1
InChIInChI=1S/C24H22FNO5/c1-16-5-3-6-17(2)24(16)19-8-4-7-18(11-19)14-29-22-10-9-20(13-26-22)21(30-15-27)12-23(28)31-25/h3-11,13,15,21H,12,14H2,1-2H3
InChIKeyRXZIHGHYZCITKH-UHFFFAOYSA-N
XLogP4.98
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate?
The IUPAC name of fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate (CID 143917769) is fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate.
What is the SMILES notation for fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate?
The canonical SMILES for fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate is Cc1cccc(C)c1-c1cccc(COc2ccc(C(CC(=O)OF)OC=O)cn2)c1.
What is the InChIKey of fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate?
The InChIKey is RXZIHGHYZCITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-16-5-3-6-17(2)24(16)19-8-4-7-18(11-19)14-29-22-10-9-20(13-26-22)21(30-15-27)12-23(28)31-25/h3-11,13,15,21H,12,14H2,1-2H3.
What are the key properties of fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate?
fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate has a molecular weight of 423.44 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-3-pyridinyl]-3-formyloxypropanoate is sourced from PubChem (CID 143917769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).