2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol

C10H16O2S — CID 57309286

IUPAC2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol
SMILESCC(CO)c1csc(C(C)CO)c1
InChIInChI=1S/C10H16O2S/c1-7(4-11)9-3-10(13-6-9)8(2)5-12/h3,6-8,11-12H,4-5H2,1-2H3
InChIKeyNLYCUUVUWJGDSC-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol

2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol (PubChem CID 57309286) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol
PubChem CID57309286
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol
SMILESCC(CO)c1csc(C(C)CO)c1
InChIInChI=1S/C10H16O2S/c1-7(4-11)9-3-10(13-6-9)8(2)5-12/h3,6-8,11-12H,4-5H2,1-2H3
InChIKeyNLYCUUVUWJGDSC-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol?
The IUPAC name of 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol (CID 57309286) is 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol is CC(CO)c1csc(C(C)CO)c1.
What is the InChIKey of 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol?
The InChIKey is NLYCUUVUWJGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(4-11)9-3-10(13-6-9)8(2)5-12/h3,6-8,11-12H,4-5H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol?
2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol has a molecular weight of 200.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropan-2-yl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 57309286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).