6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine

C32H34FNO3 — CID 89022013

IUPAC6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine
SMILESCCc1cc(OCc2ccccc2)c(F)c(CC)c1C(C)c1ccc(OCOC)c(-c2ccccc2)n1
InChIInChI=1S/C32H34FNO3/c1-5-24-19-29(36-20-23-13-9-7-10-14-23)31(33)26(6-2)30(24)22(3)27-17-18-28(37-21-35-4)32(34-27)25-15-11-8-12-16-25/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyQJGGTKBEYRHKGL-UHFFFAOYSA-N
MW499.63 g/mol
LogP7.73
Rot. Bonds11

About 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine

6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine (PubChem CID 89022013) has the molecular formula C32H34FNO3 and a molecular weight of 499.63 g/mol. Its IUPAC name is 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine.

Molecular Properties

Compound Name6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine
PubChem CID89022013
Molecular FormulaC32H34FNO3
Molecular Weight499.63 g/mol
Exact Mass499.25
IUPAC Name6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine
SMILESCCc1cc(OCc2ccccc2)c(F)c(CC)c1C(C)c1ccc(OCOC)c(-c2ccccc2)n1
InChIInChI=1S/C32H34FNO3/c1-5-24-19-29(36-20-23-13-9-7-10-14-23)31(33)26(6-2)30(24)22(3)27-17-18-28(37-21-35-4)32(34-27)25-15-11-8-12-16-25/h7-19,22H,5-6,20-21H2,1-4H3
InChIKeyQJGGTKBEYRHKGL-UHFFFAOYSA-N
XLogP7.73
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.63
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine?
The IUPAC name of 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine (CID 89022013) is 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine.
What is the SMILES notation for 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine?
The canonical SMILES for 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine is CCc1cc(OCc2ccccc2)c(F)c(CC)c1C(C)c1ccc(OCOC)c(-c2ccccc2)n1.
What is the InChIKey of 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine?
The InChIKey is QJGGTKBEYRHKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FNO3/c1-5-24-19-29(36-20-23-13-9-7-10-14-23)31(33)26(6-2)30(24)22(3)27-17-18-28(37-21-35-4)32(34-27)25-15-11-8-12-16-25/h7-19,22H,5-6,20-21H2,1-4H3.
What are the key properties of 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine?
6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine has a molecular weight of 499.63 g/mol, XLogP of 7.73, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,6-diethyl-3-fluoro-4-phenylmethoxyphenyl)ethyl]-3-(methoxymethoxy)-2-phenylpyridine is sourced from PubChem (CID 89022013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).