[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate

C20H15FN2O5 — CID 67278843

IUPAC[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1c(Oc2ccncn2)cccc1Oc1ccccc1F
InChIInChI=1S/C20H15FN2O5/c1-25-12-10-19(24)28-20-16(26-15-6-3-2-5-14(15)21)7-4-8-17(20)27-18-9-11-22-13-23-18/h2-13H,1H3
InChIKeyAPHJHFVJQPWXIZ-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.27
Rot. Bonds7

About [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate

[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate (PubChem CID 67278843) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate.

Molecular Properties

Compound Name[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate
PubChem CID67278843
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1c(Oc2ccncn2)cccc1Oc1ccccc1F
InChIInChI=1S/C20H15FN2O5/c1-25-12-10-19(24)28-20-16(26-15-6-3-2-5-14(15)21)7-4-8-17(20)27-18-9-11-22-13-23-18/h2-13H,1H3
InChIKeyAPHJHFVJQPWXIZ-UHFFFAOYSA-N
XLogP4.27
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2,2-Dimethylpropanoyloxy)-2-[di(propan-2-yl)-pyrimidin-2-ylsilyl]-4-fluorophenyl] 2,2-dimethylpropanoate
CID 135067045
[3-(2,2-Dimethylpropanoyloxy)-2-[di(propan-2-yl)-pyrimidin-2-ylsilyl]-5-fluorophenyl] 2,2-dimethylpropanoate
CID 135068093
2-[4-(2,6-Dimethoxyphenoxy)piperidin-1-yl]pyrimidine
CID 56796871
[2-(2,6-Difluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate
CID 67279522
4-[4-Methoxy-2-phenylmethoxy-3-(trifluoromethyl)phenoxy]pyrimidine
CID 67655760
[2-[4-(2,2,2-Trifluoroethoxy)pyrimidin-2-yl]oxyphenyl] 2-methoxyiminopropanoate
CID 88188187
[2-[6-(2-fluorophenoxy)pyrimidin-4-yl]oxy-3-methylphenyl] (E)-3-methoxyprop-2-enoate
CID 139724103
4-(3-Fluoro-2-methoxyphenoxy)-2-methylpyrimidine
CID 149953855
2-Chloro-4-(4-fluoro-3-methoxyphenoxy)pyrimidine
CID 166799666
2-Chloro-4-(2,4-difluoro-3-methoxyphenoxy)pyrimidine
CID 166799792
[6-(2,6-Difluorophenoxy)pyrimidin-4-yl] 3-phenylmethoxyprop-2-eneperoxoate
CID 173059927
5-[(3-Fluoro-5-phenoxyphenoxy)methyl]-2-methylpyrimidine
CID 175409947

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate?
The IUPAC name of [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate (CID 67278843) is [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate.
What is the SMILES notation for [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate?
The canonical SMILES for [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate is COC=CC(=O)Oc1c(Oc2ccncn2)cccc1Oc1ccccc1F.
What is the InChIKey of [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate?
The InChIKey is APHJHFVJQPWXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-25-12-10-19(24)28-20-16(26-15-6-3-2-5-14(15)21)7-4-8-17(20)27-18-9-11-22-13-23-18/h2-13H,1H3.
What are the key properties of [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate?
[2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate has a molecular weight of 382.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenoxy)-6-pyrimidin-4-yloxyphenyl] 3-methoxyprop-2-enoate is sourced from PubChem (CID 67278843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).