1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol

C17H15F3N4O2S — CID 51057207

IUPAC1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)12-5-4-6-13(9-12)24-16(21-22-23-24)27-11-14(25)10-26-15-7-2-1-3-8-15/h1-9,14,25H,10-11H2
InChIKeyQRLRWTGXZJMMHK-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.21
Rot. Bonds7

About 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol

1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 51057207) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID51057207
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)12-5-4-6-13(9-12)24-16(21-22-23-24)27-11-14(25)10-26-15-7-2-1-3-8-15/h1-9,14,25H,10-11H2
InChIKeyQRLRWTGXZJMMHK-UHFFFAOYSA-N
XLogP3.21
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-(4-fluoroanilino)-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol
CID 92969603
(2S)-1-(3-bromophenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 26009335
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
4-[5-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyltetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24562638
1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-(4-ethoxyphenoxy)propan-2-ol
CID 17475751
4-[2-hydroxy-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropoxy]benzonitrile
CID 46690753
1-[(2-fluorophenyl)methoxy]-3-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 17414605
1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol
CID 5160986
1-(4-chlorophenoxy)-3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 24579752
ethyl 4-[3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-hydroxypropoxy]benzoate
CID 24579753
(2R)-1-(3-methylphenoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 40661835
1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 42886752

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol (CID 51057207) is 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol is OC(COc1ccccc1)CSc1nnnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is QRLRWTGXZJMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c18-17(19,20)12-5-4-6-13(9-12)24-16(21-22-23-24)27-11-14(25)10-26-15-7-2-1-3-8-15/h1-9,14,25H,10-11H2.
What are the key properties of 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol?
1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 396.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 51057207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).