5-thiophen-2-ylpenta-2,4-dien-1-ol

C9H10OS — CID 54372046

IUPAC5-thiophen-2-ylpenta-2,4-dien-1-ol
SMILESOCC=CC=Cc1cccs1
InChIInChI=1S/C9H10OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-6,8,10H,7H2
InChIKeyUTXBFUPJMPKZSS-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.31
Rot. Bonds3

About 5-thiophen-2-ylpenta-2,4-dien-1-ol

5-thiophen-2-ylpenta-2,4-dien-1-ol (PubChem CID 54372046) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 5-thiophen-2-ylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name5-thiophen-2-ylpenta-2,4-dien-1-ol
PubChem CID54372046
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name5-thiophen-2-ylpenta-2,4-dien-1-ol
SMILESOCC=CC=Cc1cccs1
InChIInChI=1S/C9H10OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-6,8,10H,7H2
InChIKeyUTXBFUPJMPKZSS-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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)-2-thiophen-2-ylethenol
CID 89297537
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
methyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 14546239
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
(Z)-2-fluoro-3-thiophen-2-ylprop-2-en-1-ol
CID 58434635
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
CID 59090948
CID 59090948

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylpenta-2,4-dien-1-ol?
The IUPAC name of 5-thiophen-2-ylpenta-2,4-dien-1-ol (CID 54372046) is 5-thiophen-2-ylpenta-2,4-dien-1-ol.
What is the SMILES notation for 5-thiophen-2-ylpenta-2,4-dien-1-ol?
The canonical SMILES for 5-thiophen-2-ylpenta-2,4-dien-1-ol is OCC=CC=Cc1cccs1.
What is the InChIKey of 5-thiophen-2-ylpenta-2,4-dien-1-ol?
The InChIKey is UTXBFUPJMPKZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-7-3-1-2-5-9-6-4-8-11-9/h1-6,8,10H,7H2.
What are the key properties of 5-thiophen-2-ylpenta-2,4-dien-1-ol?
5-thiophen-2-ylpenta-2,4-dien-1-ol has a molecular weight of 166.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylpenta-2,4-dien-1-ol is sourced from PubChem (CID 54372046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).