(2,6-diethylphenyl)-pyridin-3-ylmethanol

C16H19NO — CID 3610631

IUPAC(2,6-diethylphenyl)-pyridin-3-ylmethanol
SMILESCCc1cccc(CC)c1C(O)c1cccnc1
InChIInChI=1S/C16H19NO/c1-3-12-7-5-8-13(4-2)15(12)16(18)14-9-6-10-17-11-14/h5-11,16,18H,3-4H2,1-2H3
InChIKeyKWOWQQXIUGRXBH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.29
Rot. Bonds4

About (2,6-diethylphenyl)-pyridin-3-ylmethanol

(2,6-diethylphenyl)-pyridin-3-ylmethanol (PubChem CID 3610631) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2,6-diethylphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2,6-diethylphenyl)-pyridin-3-ylmethanol
PubChem CID3610631
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2,6-diethylphenyl)-pyridin-3-ylmethanol
SMILESCCc1cccc(CC)c1C(O)c1cccnc1
InChIInChI=1S/C16H19NO/c1-3-12-7-5-8-13(4-2)15(12)16(18)14-9-6-10-17-11-14/h5-11,16,18H,3-4H2,1-2H3
InChIKeyKWOWQQXIUGRXBH-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-diethylphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2,6-diethylphenyl)-pyridin-3-ylmethanol (CID 3610631) is (2,6-diethylphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2,6-diethylphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2,6-diethylphenyl)-pyridin-3-ylmethanol is CCc1cccc(CC)c1C(O)c1cccnc1.
What is the InChIKey of (2,6-diethylphenyl)-pyridin-3-ylmethanol?
The InChIKey is KWOWQQXIUGRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-12-7-5-8-13(4-2)15(12)16(18)14-9-6-10-17-11-14/h5-11,16,18H,3-4H2,1-2H3.
What are the key properties of (2,6-diethylphenyl)-pyridin-3-ylmethanol?
(2,6-diethylphenyl)-pyridin-3-ylmethanol has a molecular weight of 241.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 3610631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).