4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol

C13H18N4O3S — CID 60670840

IUPAC4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
SMILESCC(C)OCC(O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C13H18N4O3S/c1-9(2)20-7-12(19)8-21-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18-19H,7-8H2,1-2H3
InChIKeyMGOMGOMVEUMYAB-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.25
Rot. Bonds7

About 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol

4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol (PubChem CID 60670840) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
PubChem CID60670840
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol
SMILESCC(C)OCC(O)CSc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C13H18N4O3S/c1-9(2)20-7-12(19)8-21-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18-19H,7-8H2,1-2H3
InChIKeyMGOMGOMVEUMYAB-UHFFFAOYSA-N
XLogP1.25
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[2-hydroxy-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropoxy]benzonitrile
CID 46690753
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanehydrazide
CID 63582154
(1S,2S,3R)-1-[4-(hydroxymethyl)phenyl]-4-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutane-1,3-diol
CID 6708369
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
(2S)-1-(3-bromophenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 26009335
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
4-[5-(4-methoxybutan-2-ylsulfanyl)tetrazol-1-yl]phenol
CID 115687845
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol (CID 60670840) is 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol is CC(C)OCC(O)CSc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol?
The InChIKey is MGOMGOMVEUMYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(2)20-7-12(19)8-21-13-14-15-16-17(13)10-3-5-11(18)6-4-10/h3-6,9,12,18-19H,7-8H2,1-2H3.
What are the key properties of 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol?
4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol has a molecular weight of 310.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxy-3-propan-2-yloxypropyl)sulfanyltetrazol-1-yl]phenol is sourced from PubChem (CID 60670840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).