3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol

C20H16OS — CID 102516179

IUPAC3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol
SMILESCc1ccc(C2=C(c3cccs3)C(O)c3ccccc32)cc1
InChIInChI=1S/C20H16OS/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)20(21)19(18)17-7-4-12-22-17/h2-12,20-21H,1H3
InChIKeyXZKKNNFIEMVKRA-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.06
Rot. Bonds2

About 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol

3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol (PubChem CID 102516179) has the molecular formula C20H16OS and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol
PubChem CID102516179
Molecular FormulaC20H16OS
Molecular Weight304.41 g/mol
Exact Mass304.09
IUPAC Name3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol
SMILESCc1ccc(C2=C(c3cccs3)C(O)c3ccccc32)cc1
InChIInChI=1S/C20H16OS/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)20(21)19(18)17-7-4-12-22-17/h2-12,20-21H,1H3
InChIKeyXZKKNNFIEMVKRA-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol?
The IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol (CID 102516179) is 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol is Cc1ccc(C2=C(c3cccs3)C(O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol?
The InChIKey is XZKKNNFIEMVKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)20(21)19(18)17-7-4-12-22-17/h2-12,20-21H,1H3.
What are the key properties of 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol?
3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol has a molecular weight of 304.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-thiophen-2-yl-1H-inden-1-ol is sourced from PubChem (CID 102516179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).