1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one

C21H18FNO3 — CID 22612124

IUPAC1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14H,6,13H2,1H3
InChIKeyHVPWWJSFFXBDIZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.84
Rot. Bonds7

About 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one

1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 22612124) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID22612124
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14H,6,13H2,1H3
InChIKeyHVPWWJSFFXBDIZ-UHFFFAOYSA-N
XLogP4.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one (CID 22612124) is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2cccnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is HVPWWJSFFXBDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-25-17-9-4-15(5-10-17)6-13-20(24)19-3-2-14-23-21(19)26-18-11-7-16(22)8-12-18/h2-5,7-12,14H,6,13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one?
1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 351.38 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 22612124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).