2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol

C16H15ClF3NO3 — CID 86650227

IUPAC2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol
SMILESOCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO3/c17-15-13(6-7-14(21-15)16(18,19)20)24-12(8-22)10-23-9-11-4-2-1-3-5-11/h1-7,12,22H,8-10H2
InChIKeyZXUHZVOUVARJPF-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.71
Rot. Bonds7

About 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol

2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol (PubChem CID 86650227) has the molecular formula C16H15ClF3NO3 and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol
PubChem CID86650227
Molecular FormulaC16H15ClF3NO3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol
SMILESOCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO3/c17-15-13(6-7-14(21-15)16(18,19)20)24-12(8-22)10-23-9-11-4-2-1-3-5-11/h1-7,12,22H,8-10H2
InChIKeyZXUHZVOUVARJPF-UHFFFAOYSA-N
XLogP3.71
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol (CID 86650227) is 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol is OCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol?
The InChIKey is ZXUHZVOUVARJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3/c17-15-13(6-7-14(21-15)16(18,19)20)24-12(8-22)10-23-9-11-4-2-1-3-5-11/h1-7,12,22H,8-10H2.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol?
2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol has a molecular weight of 361.75 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 86650227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).