2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol

C16H16OS — CID 135008684

IUPAC2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1C(c2ccsc2)=Cc2ccccc21
InChIInChI=1S/C16H16OS/c1-16(2,17)15-13-6-4-3-5-11(13)9-14(15)12-7-8-18-10-12/h3-10,15,17H,1-2H3/t15-/m0/s1
InChIKeyKNSCAKXIYCXOCC-HNNXBMFYSA-N
MW256.37 g/mol
LogP4.16
Rot. Bonds2

About 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol

2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol (PubChem CID 135008684) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol
PubChem CID135008684
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1C(c2ccsc2)=Cc2ccccc21
InChIInChI=1S/C16H16OS/c1-16(2,17)15-13-6-4-3-5-11(13)9-14(15)12-7-8-18-10-12/h3-10,15,17H,1-2H3/t15-/m0/s1
InChIKeyKNSCAKXIYCXOCC-HNNXBMFYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol?
The IUPAC name of 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol (CID 135008684) is 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol is CC(C)(O)[C@@H]1C(c2ccsc2)=Cc2ccccc21.
What is the InChIKey of 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol?
The InChIKey is KNSCAKXIYCXOCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16OS/c1-16(2,17)15-13-6-4-3-5-11(13)9-14(15)12-7-8-18-10-12/h3-10,15,17H,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol?
2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-thiophen-3-yl-1H-inden-1-yl]propan-2-ol is sourced from PubChem (CID 135008684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).