1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol

C21H28FNO2 — CID 22398636

IUPAC1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc(C)cc(C)n1
InChIInChI=1S/C21H28FNO2/c1-14-9-15(2)23-17(10-14)12-21(5,24)13-20(3,4)18-11-16(22)7-8-19(18)25-6/h7-11,24H,12-13H2,1-6H3
InChIKeyTVOAGKIOKRSKGA-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.51
Rot. Bonds6

About 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol

1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol (PubChem CID 22398636) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
PubChem CID22398636
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol
SMILESCOc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc(C)cc(C)n1
InChIInChI=1S/C21H28FNO2/c1-14-9-15(2)23-17(10-14)12-21(5,24)13-20(3,4)18-11-16(22)7-8-19(18)25-6/h7-11,24H,12-13H2,1-6H3
InChIKeyTVOAGKIOKRSKGA-UHFFFAOYSA-N
XLogP4.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol (CID 22398636) is 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol is COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
The InChIKey is TVOAGKIOKRSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-14-9-15(2)23-17(10-14)12-21(5,24)13-20(3,4)18-11-16(22)7-8-19(18)25-6/h7-11,24H,12-13H2,1-6H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol?
1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol has a molecular weight of 345.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-4-(5-fluoro-2-methoxyphenyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 22398636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).