2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol

C9H14OS — CID 65099385

IUPAC2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)C)cs1
InChIInChI=1S/C9H14OS/c1-6(2)9(10)8-4-7(3)11-5-8/h4-6,9-10H,1-3H3
InChIKeyRUWDWOSVUZHJHI-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol

2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol (PubChem CID 65099385) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
PubChem CID65099385
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(C)C)cs1
InChIInChI=1S/C9H14OS/c1-6(2)9(10)8-4-7(3)11-5-8/h4-6,9-10H,1-3H3
InChIKeyRUWDWOSVUZHJHI-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol (CID 65099385) is 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol is Cc1cc(C(O)C(C)C)cs1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
The InChIKey is RUWDWOSVUZHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-6(2)9(10)8-4-7(3)11-5-8/h4-6,9-10H,1-3H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol?
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol is sourced from PubChem (CID 65099385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).