4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine

C23H24FNO2 — CID 67076023

IUPAC4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine
SMILESCOc1cc(OC)cc(-c2c(C(C)C)cnc(C)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FNO2/c1-14(2)21-13-25-15(3)22(16-6-8-18(24)9-7-16)23(21)17-10-19(26-4)12-20(11-17)27-5/h6-14H,1-5H3
InChIKeyOLMXYWSZNUZTDO-UHFFFAOYSA-N
MW365.45 g/mol
LogP6.00
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine

4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine (PubChem CID 67076023) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine
PubChem CID67076023
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine
SMILESCOc1cc(OC)cc(-c2c(C(C)C)cnc(C)c2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H24FNO2/c1-14(2)21-13-25-15(3)22(16-6-8-18(24)9-7-16)23(21)17-10-19(26-4)12-20(11-17)27-5/h6-14H,1-5H3
InChIKeyOLMXYWSZNUZTDO-UHFFFAOYSA-N
XLogP6.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine (CID 67076023) is 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine is COc1cc(OC)cc(-c2c(C(C)C)cnc(C)c2-c2ccc(F)cc2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine?
The InChIKey is OLMXYWSZNUZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-14(2)21-13-25-15(3)22(16-6-8-18(24)9-7-16)23(21)17-10-19(26-4)12-20(11-17)27-5/h6-14H,1-5H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine?
4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine has a molecular weight of 365.45 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methyl-5-propan-2-ylpyridine is sourced from PubChem (CID 67076023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).