7-thiophen-2-ylhept-1-en-4-ol

C11H16OS — CID 105081719

IUPAC7-thiophen-2-ylhept-1-en-4-ol
SMILESC=CCC(O)CCCc1cccs1
InChIInChI=1S/C11H16OS/c1-2-5-10(12)6-3-7-11-8-4-9-13-11/h2,4,8-10,12H,1,3,5-7H2
InChIKeyGXXRDJHERKGJHL-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.01
Rot. Bonds6

About 7-thiophen-2-ylhept-1-en-4-ol

7-thiophen-2-ylhept-1-en-4-ol (PubChem CID 105081719) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 7-thiophen-2-ylhept-1-en-4-ol.

Molecular Properties

Compound Name7-thiophen-2-ylhept-1-en-4-ol
PubChem CID105081719
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name7-thiophen-2-ylhept-1-en-4-ol
SMILESC=CCC(O)CCCc1cccs1
InChIInChI=1S/C11H16OS/c1-2-5-10(12)6-3-7-11-8-4-9-13-11/h2,4,8-10,12H,1,3,5-7H2
InChIKeyGXXRDJHERKGJHL-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-thiophen-2-ylhept-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
8-thiophen-2-yloctan-4-ol
CID 64516293
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
1-pyridin-4-yl-5-thiophen-2-ylpentan-2-ol
CID 66460697
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-(6-ethenyloct-7-enyl)thiophene
CID 68786861
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-(furan-3-yl)-5-thiophen-2-ylpentan-2-ol
CID 105123144
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-ylhept-1-en-4-ol?
The IUPAC name of 7-thiophen-2-ylhept-1-en-4-ol (CID 105081719) is 7-thiophen-2-ylhept-1-en-4-ol.
What is the SMILES notation for 7-thiophen-2-ylhept-1-en-4-ol?
The canonical SMILES for 7-thiophen-2-ylhept-1-en-4-ol is C=CCC(O)CCCc1cccs1.
What is the InChIKey of 7-thiophen-2-ylhept-1-en-4-ol?
The InChIKey is GXXRDJHERKGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-5-10(12)6-3-7-11-8-4-9-13-11/h2,4,8-10,12H,1,3,5-7H2.
What are the key properties of 7-thiophen-2-ylhept-1-en-4-ol?
7-thiophen-2-ylhept-1-en-4-ol has a molecular weight of 196.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-ylhept-1-en-4-ol is sourced from PubChem (CID 105081719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).