(4-methylphenyl)-pyridin-4-ylmethanol

C13H13NO — CID 3383504

IUPAC(4-methylphenyl)-pyridin-4-ylmethanol
SMILESCc1ccc(C(O)c2ccncc2)cc1
InChIInChI=1S/C13H13NO/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12/h2-9,13,15H,1H3
InChIKeyHCGGWUDKDIBCHO-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.47
Rot. Bonds2

About (4-methylphenyl)-pyridin-4-ylmethanol

(4-methylphenyl)-pyridin-4-ylmethanol (PubChem CID 3383504) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (4-methylphenyl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(4-methylphenyl)-pyridin-4-ylmethanol
PubChem CID3383504
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(4-methylphenyl)-pyridin-4-ylmethanol
SMILESCc1ccc(C(O)c2ccncc2)cc1
InChIInChI=1S/C13H13NO/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12/h2-9,13,15H,1H3
InChIKeyHCGGWUDKDIBCHO-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-pyridin-4-ylmethanol?
The IUPAC name of (4-methylphenyl)-pyridin-4-ylmethanol (CID 3383504) is (4-methylphenyl)-pyridin-4-ylmethanol.
What is the SMILES notation for (4-methylphenyl)-pyridin-4-ylmethanol?
The canonical SMILES for (4-methylphenyl)-pyridin-4-ylmethanol is Cc1ccc(C(O)c2ccncc2)cc1.
What is the InChIKey of (4-methylphenyl)-pyridin-4-ylmethanol?
The InChIKey is HCGGWUDKDIBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12/h2-9,13,15H,1H3.
What are the key properties of (4-methylphenyl)-pyridin-4-ylmethanol?
(4-methylphenyl)-pyridin-4-ylmethanol has a molecular weight of 199.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-pyridin-4-ylmethanol is sourced from PubChem (CID 3383504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).