(E)-2-thiophen-2-ylethenol

C6H6OS — CID 89297537

IUPAC(E)-2-thiophen-2-ylethenol
SMILESO/C=C/c1cccs1
InChIInChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-5,7H/b4-3+
InChIKeyMUVOTAYHDGCARD-ONEGZZNKSA-N
MW126.18 g/mol
LogP2.28
Rot. Bonds1

About (E)-2-thiophen-2-ylethenol

(E)-2-thiophen-2-ylethenol (PubChem CID 89297537) has the molecular formula C6H6OS and a molecular weight of 126.18 g/mol. Its IUPAC name is (E)-2-thiophen-2-ylethenol.

Molecular Properties

Compound Name(E)-2-thiophen-2-ylethenol
PubChem CID89297537
Molecular FormulaC6H6OS
Molecular Weight126.18 g/mol
Exact Mass126.01
IUPAC Name(E)-2-thiophen-2-ylethenol
SMILESO/C=C/c1cccs1
InChIInChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-5,7H/b4-3+
InChIKeyMUVOTAYHDGCARD-ONEGZZNKSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 59090948
CID 59090948
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403

Frequently Asked Questions

What is the IUPAC name of (E)-2-thiophen-2-ylethenol?
The IUPAC name of (E)-2-thiophen-2-ylethenol (CID 89297537) is (E)-2-thiophen-2-ylethenol.
What is the SMILES notation for (E)-2-thiophen-2-ylethenol?
The canonical SMILES for (E)-2-thiophen-2-ylethenol is O/C=C/c1cccs1.
What is the InChIKey of (E)-2-thiophen-2-ylethenol?
The InChIKey is MUVOTAYHDGCARD-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-5,7H/b4-3+.
What are the key properties of (E)-2-thiophen-2-ylethenol?
(E)-2-thiophen-2-ylethenol has a molecular weight of 126.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-thiophen-2-ylethenol is sourced from PubChem (CID 89297537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).