3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol

C10H16OS — CID 58481740

IUPAC3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccc(C(C)(O)C(C)C)s1
InChIInChI=1S/C10H16OS/c1-7(2)10(4,11)9-6-5-8(3)12-9/h5-7,11H,1-4H3
InChIKeyCLQIFWZHVMVVBL-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.92
Rot. Bonds2

About 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol

3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol (PubChem CID 58481740) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol
PubChem CID58481740
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol
SMILESCc1ccc(C(C)(O)C(C)C)s1
InChIInChI=1S/C10H16OS/c1-7(2)10(4,11)9-6-5-8(3)12-9/h5-7,11H,1-4H3
InChIKeyCLQIFWZHVMVVBL-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol?
The IUPAC name of 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol (CID 58481740) is 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol is Cc1ccc(C(C)(O)C(C)C)s1.
What is the InChIKey of 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol?
The InChIKey is CLQIFWZHVMVVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-7(2)10(4,11)9-6-5-8(3)12-9/h5-7,11H,1-4H3.
What are the key properties of 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol?
3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 58481740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).