1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol

C20H26FNO2 — CID 91504672

IUPAC1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol
SMILESCCCc1ccc(-c2cc(OC)ncc2F)c(C(O)C(C)(C)C)c1
InChIInChI=1S/C20H26FNO2/c1-6-7-13-8-9-14(16(10-13)19(23)20(2,3)4)15-11-18(24-5)22-12-17(15)21/h8-12,19,23H,6-7H2,1-5H3
InChIKeyCIRIJZARQHXCHB-UHFFFAOYSA-N
MW331.43 g/mol
LogP4.93
Rot. Bonds5

About 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol

1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol (PubChem CID 91504672) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol
PubChem CID91504672
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol
SMILESCCCc1ccc(-c2cc(OC)ncc2F)c(C(O)C(C)(C)C)c1
InChIInChI=1S/C20H26FNO2/c1-6-7-13-8-9-14(16(10-13)19(23)20(2,3)4)15-11-18(24-5)22-12-17(15)21/h8-12,19,23H,6-7H2,1-5H3
InChIKeyCIRIJZARQHXCHB-UHFFFAOYSA-N
XLogP4.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
CID 91319791
(1S)-2-[ethoxy(methyl)phosphoryl]-1-[2-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-4-pyridinyl]ethanol
CID 156844093
[(2S)-2-[2-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-4-pyridinyl]propyl]-methylphosphinic acid
CID 156844124
[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol
CID 143860020
3-[2-fluoro-3-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(3-hydroxy-2,2,4,4-tetramethylpentan-3-yl)phenyl]methoxy]phenyl]pentanoic acid
CID 76599183
tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1S)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;tert-butyl-[[4-(2,5-difluorophenyl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]-dimethylsilane;(1S)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol;(1R)-1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,5-difluorophenyl)phenyl]-2,2-dimethylpropan-1-ol
CID 158062726
2-[3-[[3-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]ethyl-ethylphosphinic acid
CID 156844157
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
CID 171632811
6-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(1-methoxy-2,2-dimethylpropyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 77445312
sodium;cyclopropane;2-[3-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]ethyl-methylphosphinite
CID 156844283
5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol (CID 91504672) is 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol is CCCc1ccc(-c2cc(OC)ncc2F)c(C(O)C(C)(C)C)c1.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is CIRIJZARQHXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-6-7-13-8-9-14(16(10-13)19(23)20(2,3)4)15-11-18(24-5)22-12-17(15)21/h8-12,19,23H,6-7H2,1-5H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol?
1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 331.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 91504672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).