4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol

C16H15ClN4O2S — CID 7629751

IUPAC4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O2S/c17-12-2-8-15(9-3-12)23-10-1-11-24-16-18-19-20-21(16)13-4-6-14(22)7-5-13/h2-9,22H,1,10-11H2
InChIKeyKQFJUISDFCDPQM-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.58
Rot. Bonds7

About 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol

4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 7629751) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
PubChem CID7629751
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN4O2S/c17-12-2-8-15(9-3-12)23-10-1-11-24-16-18-19-20-21(16)13-4-6-14(22)7-5-13/h2-9,22H,1,10-11H2
InChIKeyKQFJUISDFCDPQM-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-chlorophenoxy)propylsulfanyl]phenol
CID 54910973
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121
N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572642
5-[2-(4-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 2691118
4-[5-[1-(4-chlorophenyl)propylsulfanyl]tetrazol-1-yl]phenol
CID 60591812
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47096811
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol (CID 7629751) is 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is KQFJUISDFCDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-12-2-8-15(9-3-12)23-10-1-11-24-16-18-19-20-21(16)13-4-6-14(22)7-5-13/h2-9,22H,1,10-11H2.
What are the key properties of 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 362.84 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 7629751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).