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

C18H21ClF3NO3 — CID 143806267

IUPAC2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane
SMILESCC.OCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO3.C2H6/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;1-2/h1-7,12,22H,8-10H2;1-2H3
InChIKeyMYUSIPPOIRIIDR-UHFFFAOYSA-N
MW391.82 g/mol
LogP4.74
Rot. Bonds7

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

2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane (PubChem CID 143806267) has the molecular formula C18H21ClF3NO3 and a molecular weight of 391.82 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane
PubChem CID143806267
Molecular FormulaC18H21ClF3NO3
Molecular Weight391.82 g/mol
Exact Mass391.12
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane
SMILESCC.OCC(COCc1ccccc1)Oc1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C16H15ClF3NO3.C2H6/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;1-2/h1-7,12,22H,8-10H2;1-2H3
InChIKeyMYUSIPPOIRIIDR-UHFFFAOYSA-N
XLogP4.74
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-propan-2-yloxy-6-(trifluoromethyl)pyridine
CID 170707493
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
N-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylmethoxybenzamide;ethane
CID 143892153
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanol
CID 106971550
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
CID 106971887
[4-(1-fluoro-3-phenylmethoxypropan-2-yl)oxyquinolin-2-yl] trifluoromethanesulfonate
CID 140621926
CID 172760983
CID 172760983
2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]propane-1,3-diol;2-methyl-6-(1-phenylmethoxybutan-2-yloxy)-1,3-benzoxazole
CID 91124191
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
2,3-dimethoxypropoxymethylbenzene;ethane;pyrene
CID 161050908
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane (CID 143806267) is 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane is CC.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;ethane?
The InChIKey is MYUSIPPOIRIIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO3.C2H6/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;1-2/h1-7,12,22H,8-10H2;1-2H3.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane?
2-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-phenylmethoxypropan-1-ol;ethane has a molecular weight of 391.82 g/mol, XLogP of 4.74, 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;ethane is sourced from PubChem (CID 143806267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).