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

C9H14OS — CID 15156702

IUPAC(2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C9H14OS/c1-7(6-10)5-9-4-3-8(2)11-9/h3-4,7,10H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyUBNOJMAXYCQBIM-ZETCQYMHSA-N
MW170.28 g/mol
LogP2.23
Rot. Bonds3

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

(2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 15156702) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID15156702
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C9H14OS/c1-7(6-10)5-9-4-3-8(2)11-9/h3-4,7,10H,5-6H2,1-2H3/t7-/m0/s1
InChIKeyUBNOJMAXYCQBIM-ZETCQYMHSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol (CID 15156702) is (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol is Cc1ccc(C[C@H](C)CO)s1.
What is the InChIKey of (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is UBNOJMAXYCQBIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14OS/c1-7(6-10)5-9-4-3-8(2)11-9/h3-4,7,10H,5-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol?
(2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 15156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).