1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol

C15H16FNO — CID 114080751

IUPAC1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc(F)cc1CC(C)(O)c1cccnc1
InChIInChI=1S/C15H16FNO/c1-11-5-6-14(16)8-12(11)9-15(2,18)13-4-3-7-17-10-13/h3-8,10,18H,9H2,1-2H3
InChIKeyIIJHJPUSPGOKQD-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.98
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol

1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 114080751) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
PubChem CID114080751
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
SMILESCc1ccc(F)cc1CC(C)(O)c1cccnc1
InChIInChI=1S/C15H16FNO/c1-11-5-6-14(16)8-12(11)9-15(2,18)13-4-3-7-17-10-13/h3-8,10,18H,9H2,1-2H3
InChIKeyIIJHJPUSPGOKQD-UHFFFAOYSA-N
XLogP2.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
tripyridin-3-ylmethanol
CID 177395677
3-hydroxy-3-pyridin-3-ylbutanenitrile
CID 165356102
3-[5-(3,5-difluorophenyl)-2,5-dimethylhexan-2-yl]pyridine
CID 170215966
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 105372912

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol (CID 114080751) is 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol is Cc1ccc(F)cc1CC(C)(O)c1cccnc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is IIJHJPUSPGOKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-5-6-14(16)8-12(11)9-15(2,18)13-4-3-7-17-10-13/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol?
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 245.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 114080751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).