[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol

C17H20FNO3 — CID 54308077

IUPAC[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol
SMILESCCOC(OCC)c1c(CO)cccc1-c1cccnc1F
InChIInChI=1S/C17H20FNO3/c1-3-21-17(22-4-2)15-12(11-20)7-5-8-13(15)14-9-6-10-19-16(14)18/h5-10,17,20H,3-4,11H2,1-2H3
InChIKeySIYDBJIHJAKSMY-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.45
Rot. Bonds7

About [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol

[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol (PubChem CID 54308077) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol
PubChem CID54308077
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol
SMILESCCOC(OCC)c1c(CO)cccc1-c1cccnc1F
InChIInChI=1S/C17H20FNO3/c1-3-21-17(22-4-2)15-12(11-20)7-5-8-13(15)14-9-6-10-19-16(14)18/h5-10,17,20H,3-4,11H2,1-2H3
InChIKeySIYDBJIHJAKSMY-UHFFFAOYSA-N
XLogP3.45
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol?
The IUPAC name of [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol (CID 54308077) is [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol.
What is the SMILES notation for [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol?
The canonical SMILES for [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol is CCOC(OCC)c1c(CO)cccc1-c1cccnc1F.
What is the InChIKey of [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol?
The InChIKey is SIYDBJIHJAKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-3-21-17(22-4-2)15-12(11-20)7-5-8-13(15)14-9-6-10-19-16(14)18/h5-10,17,20H,3-4,11H2,1-2H3.
What are the key properties of [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol?
[2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol has a molecular weight of 305.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)-3-(2-fluoro-3-pyridinyl)phenyl]methanol is sourced from PubChem (CID 54308077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).