[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C22H20FNO5 — CID 156583242

IUPAC[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3
InChIKeyJZHPUOFRNWNYQR-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.16
Rot. Bonds6

About [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 156583242) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID156583242
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3
InChIKeyJZHPUOFRNWNYQR-UHFFFAOYSA-N
XLogP4.16
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 138857390
CID 138857390
CID 135567153
CID 135567153
CID 156583241
CID 156583241
CID 21815820
CID 21815820
CID 45139822
CID 45139822
CID 53361672
CID 53361672
CID 56925463
CID 56925463
CID 90670590
CID 90670590
CID 90670592
CID 90670592
CID 136058427
CID 136058427
CID 158703
CID 158703
CID 718631
CID 718631

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 156583242) is [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccc(C)c(O)c3)ccc2F)cc(OC)c1OC.
What is the InChIKey of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JZHPUOFRNWNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-12-5-6-13(9-17(12)25)16-8-7-15(23)20(24-16)21(26)14-10-18(27-2)22(29-4)19(11-14)28-3/h5-11,25H,1-4H3.
What are the key properties of [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 397.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-6-(3-hydroxy-4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 156583242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).