(E)-3-thiophen-2-ylprop-2-en-1-ol

C7H8OS — CID 6071858

IUPAC(E)-3-thiophen-2-ylprop-2-en-1-ol
SMILESOC/C=C/c1cccs1
InChIInChI=1S/C7H8OS/c8-5-1-3-7-4-2-6-9-7/h1-4,6,8H,5H2/b3-1+
InChIKeyZXMZAFMNGMMUFA-HNQUOIGGSA-N
MW140.21 g/mol
LogP1.75
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-en-1-ol

(E)-3-thiophen-2-ylprop-2-en-1-ol (PubChem CID 6071858) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-en-1-ol
PubChem CID6071858
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name(E)-3-thiophen-2-ylprop-2-en-1-ol
SMILESOC/C=C/c1cccs1
InChIInChI=1S/C7H8OS/c8-5-1-3-7-4-2-6-9-7/h1-4,6,8H,5H2/b3-1+
InChIKeyZXMZAFMNGMMUFA-HNQUOIGGSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Thiophenemethanol
CID 69467
2-Thiopheneethanol
CID 79400
alpha-Methyl-2-thiophenemethanol
CID 102782
(5-Methylthiophen-2-yl)methanol
CID 528074
3-(Thiophen-2-yl)propan-1-ol
CID 13109866
(1S)-1-(thiophen-2-yl)ethan-1-ol
CID 10887923
1-(Thiophen-2-yl)propan-1-ol
CID 13566813
(1R)-1-(2-Thienyl)ethanol
CID 11062410
2-Thiophenemethanol, alpha-ethenyl-
CID 11434996
3-(Thiophen-2-yl)prop-2-yn-1-ol
CID 11040769
Bbtoh
CID 134812251
5-(5-But-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol
CID 14262758

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-en-1-ol?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-en-1-ol (CID 6071858) is (E)-3-thiophen-2-ylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-en-1-ol?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-en-1-ol is OC/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-en-1-ol?
The InChIKey is ZXMZAFMNGMMUFA-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H8OS/c8-5-1-3-7-4-2-6-9-7/h1-4,6,8H,5H2/b3-1+.
What are the key properties of (E)-3-thiophen-2-ylprop-2-en-1-ol?
(E)-3-thiophen-2-ylprop-2-en-1-ol has a molecular weight of 140.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-en-1-ol is sourced from PubChem (CID 6071858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).