6-(8-hydroxydodecyl)-2-methylpyridin-3-ol

C18H31NO2 — CID 57379203

IUPAC6-(8-hydroxydodecyl)-2-methylpyridin-3-ol
SMILESCCCCC(O)CCCCCCCc1ccc(O)c(C)n1
InChIInChI=1S/C18H31NO2/c1-3-4-11-17(20)12-9-7-5-6-8-10-16-13-14-18(21)15(2)19-16/h13-14,17,20-21H,3-12H2,1-2H3
InChIKeyTZSCTOSDUYUBJK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.53
Rot. Bonds11

About 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol

6-(8-hydroxydodecyl)-2-methylpyridin-3-ol (PubChem CID 57379203) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name6-(8-hydroxydodecyl)-2-methylpyridin-3-ol
PubChem CID57379203
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name6-(8-hydroxydodecyl)-2-methylpyridin-3-ol
SMILESCCCCC(O)CCCCCCCc1ccc(O)c(C)n1
InChIInChI=1S/C18H31NO2/c1-3-4-11-17(20)12-9-7-5-6-8-10-16-13-14-18(21)15(2)19-16/h13-14,17,20-21H,3-12H2,1-2H3
InChIKeyTZSCTOSDUYUBJK-UHFFFAOYSA-N
XLogP4.53
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol?
The IUPAC name of 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol (CID 57379203) is 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol?
The canonical SMILES for 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol is CCCCC(O)CCCCCCCc1ccc(O)c(C)n1.
What is the InChIKey of 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol?
The InChIKey is TZSCTOSDUYUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-4-11-17(20)12-9-7-5-6-8-10-16-13-14-18(21)15(2)19-16/h13-14,17,20-21H,3-12H2,1-2H3.
What are the key properties of 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol?
6-(8-hydroxydodecyl)-2-methylpyridin-3-ol has a molecular weight of 293.45 g/mol, XLogP of 4.53, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-hydroxydodecyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 57379203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).