4-tert-butyl-2,5-dimethylthiophen-3-ol

C10H16OS — CID 59751537

IUPAC4-tert-butyl-2,5-dimethylthiophen-3-ol
SMILESCc1sc(C)c(C(C)(C)C)c1O
InChIInChI=1S/C10H16OS/c1-6-8(10(3,4)5)9(11)7(2)12-6/h11H,1-5H3
InChIKeyKTFLBLHKZHKOJX-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.37
Rot. Bonds

About 4-tert-butyl-2,5-dimethylthiophen-3-ol

4-tert-butyl-2,5-dimethylthiophen-3-ol (PubChem CID 59751537) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-tert-butyl-2,5-dimethylthiophen-3-ol.

Molecular Properties

Compound Name4-tert-butyl-2,5-dimethylthiophen-3-ol
PubChem CID59751537
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-tert-butyl-2,5-dimethylthiophen-3-ol
SMILESCc1sc(C)c(C(C)(C)C)c1O
InChIInChI=1S/C10H16OS/c1-6-8(10(3,4)5)9(11)7(2)12-6/h11H,1-5H3
InChIKeyKTFLBLHKZHKOJX-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.37
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 4-tert-butyl-2,5-dimethylthiophen-3-ol?
The IUPAC name of 4-tert-butyl-2,5-dimethylthiophen-3-ol (CID 59751537) is 4-tert-butyl-2,5-dimethylthiophen-3-ol.
What is the SMILES notation for 4-tert-butyl-2,5-dimethylthiophen-3-ol?
The canonical SMILES for 4-tert-butyl-2,5-dimethylthiophen-3-ol is Cc1sc(C)c(C(C)(C)C)c1O.
What is the InChIKey of 4-tert-butyl-2,5-dimethylthiophen-3-ol?
The InChIKey is KTFLBLHKZHKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-6-8(10(3,4)5)9(11)7(2)12-6/h11H,1-5H3.
What are the key properties of 4-tert-butyl-2,5-dimethylthiophen-3-ol?
4-tert-butyl-2,5-dimethylthiophen-3-ol has a molecular weight of 184.30 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-dimethylthiophen-3-ol is sourced from PubChem (CID 59751537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).