1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol

C15H17NO — CID 19979060

IUPAC1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1-c1ccc(C)nc1
InChIInChI=1S/C15H17NO/c1-3-15(17)14-7-5-4-6-13(14)12-9-8-11(2)16-10-12/h4-10,15,17H,3H2,1-2H3
InChIKeyAHFMMUUJQYRSFD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.50
Rot. Bonds3

About 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol

1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol (PubChem CID 19979060) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol
PubChem CID19979060
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1-c1ccc(C)nc1
InChIInChI=1S/C15H17NO/c1-3-15(17)14-7-5-4-6-13(14)12-9-8-11(2)16-10-12/h4-10,15,17H,3H2,1-2H3
InChIKeyAHFMMUUJQYRSFD-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol (CID 19979060) is 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol is CCC(O)c1ccccc1-c1ccc(C)nc1.
What is the InChIKey of 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol?
The InChIKey is AHFMMUUJQYRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-15(17)14-7-5-4-6-13(14)12-9-8-11(2)16-10-12/h4-10,15,17H,3H2,1-2H3.
What are the key properties of 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol?
1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-3-pyridinyl)phenyl]propan-1-ol is sourced from PubChem (CID 19979060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).