(1R)-1-thiophen-3-ylprop-2-en-1-ol

C7H8OS — CID 124509514

IUPAC(1R)-1-thiophen-3-ylprop-2-en-1-ol
SMILESC=C[C@@H](O)c1ccsc1
InChIInChI=1S/C7H8OS/c1-2-7(8)6-3-4-9-5-6/h2-5,7-8H,1H2/t7-/m1/s1
InChIKeyVDSSFVWDWRWNLV-SSDOTTSWSA-N
MW140.21 g/mol
LogP1.97
Rot. Bonds2

About (1R)-1-thiophen-3-ylprop-2-en-1-ol

(1R)-1-thiophen-3-ylprop-2-en-1-ol (PubChem CID 124509514) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is (1R)-1-thiophen-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-thiophen-3-ylprop-2-en-1-ol
PubChem CID124509514
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name(1R)-1-thiophen-3-ylprop-2-en-1-ol
SMILESC=C[C@@H](O)c1ccsc1
InChIInChI=1S/C7H8OS/c1-2-7(8)6-3-4-9-5-6/h2-5,7-8H,1H2/t7-/m1/s1
InChIKeyVDSSFVWDWRWNLV-SSDOTTSWSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-thiophen-3-ylprop-2-en-1-ol?
The IUPAC name of (1R)-1-thiophen-3-ylprop-2-en-1-ol (CID 124509514) is (1R)-1-thiophen-3-ylprop-2-en-1-ol.
What is the SMILES notation for (1R)-1-thiophen-3-ylprop-2-en-1-ol?
The canonical SMILES for (1R)-1-thiophen-3-ylprop-2-en-1-ol is C=C[C@@H](O)c1ccsc1.
What is the InChIKey of (1R)-1-thiophen-3-ylprop-2-en-1-ol?
The InChIKey is VDSSFVWDWRWNLV-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8OS/c1-2-7(8)6-3-4-9-5-6/h2-5,7-8H,1H2/t7-/m1/s1.
What are the key properties of (1R)-1-thiophen-3-ylprop-2-en-1-ol?
(1R)-1-thiophen-3-ylprop-2-en-1-ol has a molecular weight of 140.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-thiophen-3-ylprop-2-en-1-ol is sourced from PubChem (CID 124509514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).