[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol

C15H19NO3 — CID 144957919

IUPAC[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol
SMILESC=C/C=C(\C=C)COc1cc(OC)nc(C)c1CO
InChIInChI=1S/C15H19NO3/c1-5-7-12(6-2)10-19-14-8-15(18-4)16-11(3)13(14)9-17/h5-8,17H,1-2,9-10H2,3-4H3/b12-7+
InChIKeyZJHOGWBZLBVXDR-KPKJPENVSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds7

About [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol

[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol (PubChem CID 144957919) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol
PubChem CID144957919
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol
SMILESC=C/C=C(\C=C)COc1cc(OC)nc(C)c1CO
InChIInChI=1S/C15H19NO3/c1-5-7-12(6-2)10-19-14-8-15(18-4)16-11(3)13(14)9-17/h5-8,17H,1-2,9-10H2,3-4H3/b12-7+
InChIKeyZJHOGWBZLBVXDR-KPKJPENVSA-N
XLogP2.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol (CID 144957919) is [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol is C=C/C=C(\C=C)COc1cc(OC)nc(C)c1CO.
What is the InChIKey of [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol?
The InChIKey is ZJHOGWBZLBVXDR-KPKJPENVSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-7-12(6-2)10-19-14-8-15(18-4)16-11(3)13(14)9-17/h5-8,17H,1-2,9-10H2,3-4H3/b12-7+.
What are the key properties of [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol?
[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol has a molecular weight of 261.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 144957919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).