(4-butoxy-5-methoxy-2-pyridinyl)methanol

C11H17NO3 — CID 21221237

IUPAC(4-butoxy-5-methoxy-2-pyridinyl)methanol
SMILESCCCCOc1cc(CO)ncc1OC
InChIInChI=1S/C11H17NO3/c1-3-4-5-15-10-6-9(8-13)12-7-11(10)14-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyJRWIEFZJIKTDSB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.76
Rot. Bonds6

About (4-butoxy-5-methoxy-2-pyridinyl)methanol

(4-butoxy-5-methoxy-2-pyridinyl)methanol (PubChem CID 21221237) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4-butoxy-5-methoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-butoxy-5-methoxy-2-pyridinyl)methanol
PubChem CID21221237
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4-butoxy-5-methoxy-2-pyridinyl)methanol
SMILESCCCCOc1cc(CO)ncc1OC
InChIInChI=1S/C11H17NO3/c1-3-4-5-15-10-6-9(8-13)12-7-11(10)14-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyJRWIEFZJIKTDSB-UHFFFAOYSA-N
XLogP1.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4-butoxy-5-methoxy-2-pyridinyl)methanol?
The IUPAC name of (4-butoxy-5-methoxy-2-pyridinyl)methanol (CID 21221237) is (4-butoxy-5-methoxy-2-pyridinyl)methanol.
What is the SMILES notation for (4-butoxy-5-methoxy-2-pyridinyl)methanol?
The canonical SMILES for (4-butoxy-5-methoxy-2-pyridinyl)methanol is CCCCOc1cc(CO)ncc1OC.
What is the InChIKey of (4-butoxy-5-methoxy-2-pyridinyl)methanol?
The InChIKey is JRWIEFZJIKTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-4-5-15-10-6-9(8-13)12-7-11(10)14-2/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of (4-butoxy-5-methoxy-2-pyridinyl)methanol?
(4-butoxy-5-methoxy-2-pyridinyl)methanol has a molecular weight of 211.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-5-methoxy-2-pyridinyl)methanol is sourced from PubChem (CID 21221237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).