1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone

C16H14N4O2S — CID 578393

IUPAC1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14N4O2S/c1-11-2-6-13(7-3-11)20-16(17-18-19-20)23-10-15(22)12-4-8-14(21)9-5-12/h2-9,21H,10H2,1H3
InChIKeyKSBCJHNPMZHFGA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone

1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 578393) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID578393
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
SMILESCc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H14N4O2S/c1-11-2-6-13(7-3-11)20-16(17-18-19-20)23-10-15(22)12-4-8-14(21)9-5-12/h2-9,21H,10H2,1H3
InChIKeyKSBCJHNPMZHFGA-UHFFFAOYSA-N
XLogP2.65
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-2-(1-(4-hydroxyphenyl)-1H-tetrazol-5-ylthio)ethanone
CID 2809808
4-(5-Benzylsulfanyltetrazol-1-yl)benzoic acid
CID 777746
1-(3,4-Dihydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 1515366
4-[5-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 2010274
1-(3,4-Dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 713665
4-(5-((4-methoxybenzyl)thio)-1H-tetrazol-1-yl)benzoic acid
CID 700550
4-[[1-(3,4-Dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzoic acid
CID 713551
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic Acid
CID 2397332
3-{[1-(4-hydroxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]thio}indan-1-one
CID 2809869
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
1-(3,4-Dihydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 946537
1-[4-Ethoxy-3-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]phenyl]ethanone
CID 2415521

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone (CID 578393) is 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone is Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is KSBCJHNPMZHFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-2-6-13(7-3-11)20-16(17-18-19-20)23-10-15(22)12-4-8-14(21)9-5-12/h2-9,21H,10H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone?
1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 326.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 578393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).