(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H12F3NO3 — CID 105066282

IUPAC(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCOc1cnccc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3NO3/c1-20-12-8-18-6-5-11(12)13(19)9-3-2-4-10(7-9)21-14(15,16)17/h2-8,13,19H,1H3
InChIKeyCAYXOHUTEVDBMP-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.07
Rot. Bonds4

About (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol

(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 105066282) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID105066282
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCOc1cnccc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3NO3/c1-20-12-8-18-6-5-11(12)13(19)9-3-2-4-10(7-9)21-14(15,16)17/h2-8,13,19H,1H3
InChIKeyCAYXOHUTEVDBMP-UHFFFAOYSA-N
XLogP3.07
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
CID 107292052
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066253
pyridazin-4-yl-[3-(trifluoromethoxy)phenyl]methanol
CID 105096572
(5-fluoro-3-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066191
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 105066282) is (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol is COc1cnccc1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is CAYXOHUTEVDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-20-12-8-18-6-5-11(12)13(19)9-3-2-4-10(7-9)21-14(15,16)17/h2-8,13,19H,1H3.
What are the key properties of (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol?
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 299.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 105066282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).