1-thiophen-2-ylprop-1-en-1-ol

C7H8OS — CID 68622229

IUPAC1-thiophen-2-ylprop-1-en-1-ol
SMILESCC=C(O)c1cccs1
InChIInChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h2-5,8H,1H3
InChIKeyKZCXXSWHDLPICN-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.67
Rot. Bonds1

About 1-thiophen-2-ylprop-1-en-1-ol

1-thiophen-2-ylprop-1-en-1-ol (PubChem CID 68622229) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 1-thiophen-2-ylprop-1-en-1-ol.

Molecular Properties

Compound Name1-thiophen-2-ylprop-1-en-1-ol
PubChem CID68622229
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name1-thiophen-2-ylprop-1-en-1-ol
SMILESCC=C(O)c1cccs1
InChIInChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h2-5,8H,1H3
InChIKeyKZCXXSWHDLPICN-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.67
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

2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
(E)-3-hydroxy-3-thiophen-2-ylprop-2-enedithioic acid
CID 135491097
2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene
CID 170081340
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
(Z)-1-amino-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 82504052
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylprop-1-en-1-ol?
The IUPAC name of 1-thiophen-2-ylprop-1-en-1-ol (CID 68622229) is 1-thiophen-2-ylprop-1-en-1-ol.
What is the SMILES notation for 1-thiophen-2-ylprop-1-en-1-ol?
The canonical SMILES for 1-thiophen-2-ylprop-1-en-1-ol is CC=C(O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylprop-1-en-1-ol?
The InChIKey is KZCXXSWHDLPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h2-5,8H,1H3.
What are the key properties of 1-thiophen-2-ylprop-1-en-1-ol?
1-thiophen-2-ylprop-1-en-1-ol has a molecular weight of 140.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylprop-1-en-1-ol is sourced from PubChem (CID 68622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).