[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol

C16H15ClF3NO4 — CID 68552856

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccc(CO)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO4/c1-23-4-5-24-12-3-2-10(9-22)14(7-12)25-15-13(17)6-11(8-21-15)16(18,19)20/h2-3,6-8,22H,4-5,9H2,1H3
InChIKeyZCSHTUNZGBHTIM-UHFFFAOYSA-N
MW377.75 g/mol
LogP4.06
Rot. Bonds7

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol (PubChem CID 68552856) has the molecular formula C16H15ClF3NO4 and a molecular weight of 377.75 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
PubChem CID68552856
Molecular FormulaC16H15ClF3NO4
Molecular Weight377.75 g/mol
Exact Mass377.06
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccc(CO)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C16H15ClF3NO4/c1-23-4-5-24-12-3-2-10(9-22)14(7-12)25-15-13(17)6-11(8-21-15)16(18,19)20/h2-3,6-8,22H,4-5,9H2,1H3
InChIKeyZCSHTUNZGBHTIM-UHFFFAOYSA-N
XLogP4.06
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl N-(3-methoxypropyl)carbamate
CID 86617748
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl-(propan-2-ylsulfamoyl)carbamic acid
CID 68548771
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(propan-2-ylsulfamoyl)carbamate
CID 86617786
2-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonylamino]acetamide
CID 69110718
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-[2-tri(propan-2-yl)silyloxyethoxy]phenyl]propan-1-ol
CID 68550039
carbamoyl 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]-4-methylpentane-2-sulfonate
CID 87698006
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]-N-(4-methylphenyl)sulfonylpropanamide
CID 68552961
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-[(4-methoxyphenyl)methylsulfamoyl]carbamate
CID 140521790
[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl-pentylsulfamoyl] carbamate
CID 87697851
2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide
CID 68545429
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl N-(cyclohexylmethylsulfamoyl)carbamate
CID 140521763
4-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propylsulfonyl]thiomorpholine
CID 69121676

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol (CID 68552856) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccc(CO)c(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is ZCSHTUNZGBHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO4/c1-23-4-5-24-12-3-2-10(9-22)14(7-12)25-15-13(17)6-11(8-21-15)16(18,19)20/h2-3,6-8,22H,4-5,9H2,1H3.
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 377.75 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 68552856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).