2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one

C16H12N4O2S — CID 2809869

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H12N4O2S/c21-12-7-5-11(6-8-12)20-16(17-18-19-20)23-14-9-10-3-1-2-4-13(10)15(14)22/h1-8,14,21H,9H2
InChIKeyQXMFOJSNAFAKPN-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one (PubChem CID 2809869) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
PubChem CID2809869
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1Sc1nnnn1-c1ccc(O)cc1
InChIInChI=1S/C16H12N4O2S/c21-12-7-5-11(6-8-12)20-16(17-18-19-20)23-14-9-10-3-1-2-4-13(10)15(14)22/h1-8,14,21H,9H2
InChIKeyQXMFOJSNAFAKPN-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.27
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
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic Acid
CID 2397332
1-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-2-one
CID 4968520
N,N-diethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16304484
4-fluoro-N'-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 16344592
1-(4-Hydroxy-phenyl)-2-(1-p-tolyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 578393
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone
CID 2054513
2-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylpropan-1-one
CID 4821650
4-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfanyl-1-phenylbutan-1-one
CID 4880813
1-[3,5-Bis(trifluoromethyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 2810269
1-(3,4-Difluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 4815419
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-2,3-dihydro-1H-inden-1-one
CID 5224473

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one (CID 2809869) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1Sc1nnnn1-c1ccc(O)cc1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one?
The InChIKey is QXMFOJSNAFAKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-12-7-5-11(6-8-12)20-16(17-18-19-20)23-14-9-10-3-1-2-4-13(10)15(14)22/h1-8,14,21H,9H2.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one has a molecular weight of 324.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 2809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).