2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol

C16H18FNO — CID 79739804

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H18FNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyMTNKHERGZOXZHN-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.37
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol

2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 79739804) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
PubChem CID79739804
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H18FNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyMTNKHERGZOXZHN-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822400
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol (CID 79739804) is 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol is CCc1ccc(CC(O)c2ccc(F)c(C)c2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is MTNKHERGZOXZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol?
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 79739804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).