[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol

C16H25NO4 — CID 59792362

IUPAC[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol
SMILESCCCC1(CCOc2ccnc(CO)c2C)OCCCO1
InChIInChI=1S/C16H25NO4/c1-3-6-16(20-9-4-10-21-16)7-11-19-15-5-8-17-14(12-18)13(15)2/h5,8,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyMQEUISIGGLKHAT-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.58
Rot. Bonds7

About [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol

[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol (PubChem CID 59792362) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol
PubChem CID59792362
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol
SMILESCCCC1(CCOc2ccnc(CO)c2C)OCCCO1
InChIInChI=1S/C16H25NO4/c1-3-6-16(20-9-4-10-21-16)7-11-19-15-5-8-17-14(12-18)13(15)2/h5,8,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyMQEUISIGGLKHAT-UHFFFAOYSA-N
XLogP2.58
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol (CID 59792362) is [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol is CCCC1(CCOc2ccnc(CO)c2C)OCCCO1.
What is the InChIKey of [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol?
The InChIKey is MQEUISIGGLKHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-6-16(20-9-4-10-21-16)7-11-19-15-5-8-17-14(12-18)13(15)2/h5,8,18H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol?
[3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol has a molecular weight of 295.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[2-(2-propyl-1,3-dioxan-2-yl)ethoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 59792362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).