1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C16H18FNO — CID 112585875

IUPAC1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1cc(C)cc(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H18FNO/c1-4-16(19,15-6-5-14(17)10-18-15)13-8-11(2)7-12(3)9-13/h5-10,19H,4H2,1-3H3
InChIKeyWWUZVRODKMVCCK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.48
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112585875) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112585875
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1cc(C)cc(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H18FNO/c1-4-16(19,15-6-5-14(17)10-18-15)13-8-11(2)7-12(3)9-13/h5-10,19H,4H2,1-3H3
InChIKeyWWUZVRODKMVCCK-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(5-fluoro-2-pyridinyl)-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115940714
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940894

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112585875) is 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCC(O)(c1cc(C)cc(C)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is WWUZVRODKMVCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-4-16(19,15-6-5-14(17)10-18-15)13-8-11(2)7-12(3)9-13/h5-10,19H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 259.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112585875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).