(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol

C10H13NO2 — CID 67605500

IUPAC(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol
SMILESC=CCc1nccc(OC)c1CO
InChIInChI=1S/C10H13NO2/c1-3-4-9-8(7-12)10(13-2)5-6-11-9/h3,5-6,12H,1,4,7H2,2H3
InChIKeyZPPJGEJNJWDXJK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.31
Rot. Bonds4

About (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol

(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol (PubChem CID 67605500) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol
PubChem CID67605500
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol
SMILESC=CCc1nccc(OC)c1CO
InChIInChI=1S/C10H13NO2/c1-3-4-9-8(7-12)10(13-2)5-6-11-9/h3,5-6,12H,1,4,7H2,2H3
InChIKeyZPPJGEJNJWDXJK-UHFFFAOYSA-N
XLogP1.31
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol?
The IUPAC name of (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol (CID 67605500) is (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol?
The canonical SMILES for (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol is C=CCc1nccc(OC)c1CO.
What is the InChIKey of (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol?
The InChIKey is ZPPJGEJNJWDXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-4-9-8(7-12)10(13-2)5-6-11-9/h3,5-6,12H,1,4,7H2,2H3.
What are the key properties of (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol?
(4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-prop-2-enyl-3-pyridinyl)methanol is sourced from PubChem (CID 67605500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).