1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol

C18H16N2O2S — CID 143061038

IUPAC1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol
SMILESCc1cc(CC(O)c2cc3ccccc3o2)cc2cn(S)nc12
InChIInChI=1S/C18H16N2O2S/c1-11-6-12(7-14-10-20(23)19-18(11)14)8-15(21)17-9-13-4-2-3-5-16(13)22-17/h2-7,9-10,15,21,23H,8H2,1H3
InChIKeyWENMWGFZXCTTKT-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.06
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol

1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol (PubChem CID 143061038) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol
PubChem CID143061038
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol
SMILESCc1cc(CC(O)c2cc3ccccc3o2)cc2cn(S)nc12
InChIInChI=1S/C18H16N2O2S/c1-11-6-12(7-14-10-20(23)19-18(11)14)8-15(21)17-9-13-4-2-3-5-16(13)22-17/h2-7,9-10,15,21,23H,8H2,1H3
InChIKeyWENMWGFZXCTTKT-UHFFFAOYSA-N
XLogP4.06
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
1-(1-benzofuran-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740534
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172618
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179188
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
1-benzofuran-2-yl-(3,6-dimethylpyridazin-4-yl)methanol
CID 105128840

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol (CID 143061038) is 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol is Cc1cc(CC(O)c2cc3ccccc3o2)cc2cn(S)nc12.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol?
The InChIKey is WENMWGFZXCTTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-6-12(7-14-10-20(23)19-18(11)14)8-15(21)17-9-13-4-2-3-5-16(13)22-17/h2-7,9-10,15,21,23H,8H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol?
1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol has a molecular weight of 324.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(7-methyl-2-sulfanylindazol-5-yl)ethanol is sourced from PubChem (CID 143061038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).