[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol

C20H24F3NO4 — CID 89127514

IUPAC[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol
SMILESCCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1cccc(CO)n1
InChIInChI=1S/C20H24F3NO4/c1-4-6-14-11-15(19(2,20(21,22)23)27-13-26-3)9-10-17(14)28-18-8-5-7-16(12-25)24-18/h5,7-11,25H,4,6,12-13H2,1-3H3
InChIKeyHKLKZEUFLSNFGZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.72
Rot. Bonds9

About [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol

[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol (PubChem CID 89127514) has the molecular formula C20H24F3NO4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol
PubChem CID89127514
Molecular FormulaC20H24F3NO4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol
SMILESCCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1cccc(CO)n1
InChIInChI=1S/C20H24F3NO4/c1-4-6-14-11-15(19(2,20(21,22)23)27-13-26-3)9-10-17(14)28-18-8-5-7-16(12-25)24-18/h5,7-11,25H,4,6,12-13H2,1-3H3
InChIKeyHKLKZEUFLSNFGZ-UHFFFAOYSA-N
XLogP4.72
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]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

2-(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)propan-2-ol
CID 21912239
(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)methanol
CID 21912450
6-(4-(3-Hydroxypropoxy)-3-(trifluoromethyl)phenyl)picolinonitrile
CID 49863239
1-[6-[4-[4-(Trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943251
(1S)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943275
(1R)-1-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943276
Benzenemethanol, 2,5-dimethyl-alpha-ethyl-alpha-(4-((6-methyl-2-pyridinyl)methoxy)phenyl)-
CID 13882404
(1S)-1-(6-(4-(4-fluoro-2-(2,2,2-trifluoro-1-hydroxyethyl)phenoxy)phenyl)pyridin-2-yl)ethane-1,2-diol
CID 117616820
2-(4-Ethoxyphenyl)-1,1,1-trifluoro-3-[(6-phenoxypyridin-2-yl)methoxy]propan-2-ol
CID 13880757
2-Methyl-6-{4-[1-(4-fluorophenyl)-1-hydroxypropyl]-phenoxymethyl}-pyridine
CID 13882400
1-[4-[(6-Methylpyridin-2-yl)methoxy]phenyl]-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 13882401
1-[4-[(6-Methylpyridin-2-yl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 13882407

Frequently Asked Questions

What is the IUPAC name of [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol?
The IUPAC name of [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol (CID 89127514) is [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol is CCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1cccc(CO)n1.
What is the InChIKey of [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol?
The InChIKey is HKLKZEUFLSNFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO4/c1-4-6-14-11-15(19(2,20(21,22)23)27-13-26-3)9-10-17(14)28-18-8-5-7-16(12-25)24-18/h5,7-11,25H,4,6,12-13H2,1-3H3.
What are the key properties of [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol?
[6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol has a molecular weight of 399.41 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-propyl-4-[1,1,1-trifluoro-2-(methoxymethoxy)propan-2-yl]phenoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 89127514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).