(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol

C14H14FNO2 — CID 79721579

IUPAC(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(F)cn1
InChIInChI=1S/C14H14FNO2/c1-2-18-13-6-4-3-5-11(13)14(17)12-8-7-10(15)9-16-12/h3-9,14,17H,2H2,1H3
InChIKeyWKNOPNIAWPCCAA-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.70
Rot. Bonds4

About (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol

(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol (PubChem CID 79721579) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
PubChem CID79721579
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
SMILESCCOc1ccccc1C(O)c1ccc(F)cn1
InChIInChI=1S/C14H14FNO2/c1-2-18-13-6-4-3-5-11(13)14(17)12-8-7-10(15)9-16-12/h3-9,14,17H,2H2,1H3
InChIKeyWKNOPNIAWPCCAA-UHFFFAOYSA-N
XLogP2.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol (CID 79721579) is (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol is CCOc1ccccc1C(O)c1ccc(F)cn1.
What is the InChIKey of (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol?
The InChIKey is WKNOPNIAWPCCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-2-18-13-6-4-3-5-11(13)14(17)12-8-7-10(15)9-16-12/h3-9,14,17H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol?
(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol has a molecular weight of 247.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 79721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).