2-propan-2-ylthiophen-3-ol

C7H10OS — CID 57293829

IUPAC2-propan-2-ylthiophen-3-ol
SMILESCC(C)c1sccc1O
InChIInChI=1S/C7H10OS/c1-5(2)7-6(8)3-4-9-7/h3-5,8H,1-2H3
InChIKeyHNYJJKNCYWSQNY-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.58
Rot. Bonds1

About 2-propan-2-ylthiophen-3-ol

2-propan-2-ylthiophen-3-ol (PubChem CID 57293829) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-propan-2-ylthiophen-3-ol.

Molecular Properties

Compound Name2-propan-2-ylthiophen-3-ol
PubChem CID57293829
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name2-propan-2-ylthiophen-3-ol
SMILESCC(C)c1sccc1O
InChIInChI=1S/C7H10OS/c1-5(2)7-6(8)3-4-9-7/h3-5,8H,1-2H3
InChIKeyHNYJJKNCYWSQNY-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiophen-3-ol?
The IUPAC name of 2-propan-2-ylthiophen-3-ol (CID 57293829) is 2-propan-2-ylthiophen-3-ol.
What is the SMILES notation for 2-propan-2-ylthiophen-3-ol?
The canonical SMILES for 2-propan-2-ylthiophen-3-ol is CC(C)c1sccc1O.
What is the InChIKey of 2-propan-2-ylthiophen-3-ol?
The InChIKey is HNYJJKNCYWSQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5(2)7-6(8)3-4-9-7/h3-5,8H,1-2H3.
What are the key properties of 2-propan-2-ylthiophen-3-ol?
2-propan-2-ylthiophen-3-ol has a molecular weight of 142.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiophen-3-ol is sourced from PubChem (CID 57293829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).