3-thiophen-3-ylpent-1-en-3-ol

C9H12OS — CID 130929664

IUPAC3-thiophen-3-ylpent-1-en-3-ol
SMILESC=CC(O)(CC)c1ccsc1
InChIInChI=1S/C9H12OS/c1-3-9(10,4-2)8-5-6-11-7-8/h3,5-7,10H,1,4H2,2H3
InChIKeyPYGBRNJBBPRGOH-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.53
Rot. Bonds3

About 3-thiophen-3-ylpent-1-en-3-ol

3-thiophen-3-ylpent-1-en-3-ol (PubChem CID 130929664) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 3-thiophen-3-ylpent-1-en-3-ol.

Molecular Properties

Compound Name3-thiophen-3-ylpent-1-en-3-ol
PubChem CID130929664
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name3-thiophen-3-ylpent-1-en-3-ol
SMILESC=CC(O)(CC)c1ccsc1
InChIInChI=1S/C9H12OS/c1-3-9(10,4-2)8-5-6-11-7-8/h3,5-7,10H,1,4H2,2H3
InChIKeyPYGBRNJBBPRGOH-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-3-ylpentan-3-ol
CID 65099780
2-methyl-3-thiophen-3-ylpent-1-en-3-ol
CID 131021089
3-thiophen-3-ylpentan-3-amine
CID 65099925
3-methyl-2-thiophen-3-ylpentan-2-ol
CID 65100069
ethane;2-thiophen-3-ylpropan-2-ol
CID 144659448
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
bis(methylamino)-thiophen-3-ylmethanol
CID 126493654
2-methyl-2-thiophen-3-ylbutan-1-amine
CID 82412624
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
(4S)-4-methyl-4-thiophen-3-ylhexan-2-one
CID 137378766
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
CID 127003873
1-(2,3-dihydrofuran-4-yl)-1-thiophen-3-ylpropan-1-ol
CID 130948591

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpent-1-en-3-ol?
The IUPAC name of 3-thiophen-3-ylpent-1-en-3-ol (CID 130929664) is 3-thiophen-3-ylpent-1-en-3-ol.
What is the SMILES notation for 3-thiophen-3-ylpent-1-en-3-ol?
The canonical SMILES for 3-thiophen-3-ylpent-1-en-3-ol is C=CC(O)(CC)c1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpent-1-en-3-ol?
The InChIKey is PYGBRNJBBPRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-3-9(10,4-2)8-5-6-11-7-8/h3,5-7,10H,1,4H2,2H3.
What are the key properties of 3-thiophen-3-ylpent-1-en-3-ol?
3-thiophen-3-ylpent-1-en-3-ol has a molecular weight of 168.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpent-1-en-3-ol is sourced from PubChem (CID 130929664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).