5-(5-methylthiophen-2-yl)hexane-2,3-diol

C11H18O2S — CID 83929345

IUPAC5-(5-methylthiophen-2-yl)hexane-2,3-diol
SMILESCc1ccc(C(C)CC(O)C(C)O)s1
InChIInChI=1S/C11H18O2S/c1-7(6-10(13)9(3)12)11-5-4-8(2)14-11/h4-5,7,9-10,12-13H,6H2,1-3H3
InChIKeyUVBQIORFXNSKJT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.29
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)hexane-2,3-diol

5-(5-methylthiophen-2-yl)hexane-2,3-diol (PubChem CID 83929345) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)hexane-2,3-diol.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)hexane-2,3-diol
PubChem CID83929345
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name5-(5-methylthiophen-2-yl)hexane-2,3-diol
SMILESCc1ccc(C(C)CC(O)C(C)O)s1
InChIInChI=1S/C11H18O2S/c1-7(6-10(13)9(3)12)11-5-4-8(2)14-11/h4-5,7,9-10,12-13H,6H2,1-3H3
InChIKeyUVBQIORFXNSKJT-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
(1S,2R)-1-amino-1-(5-methylthiophen-2-yl)propan-2-ol
CID 130969879
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
2-chloro-1-(5-methylthiophen-2-yl)ethanol
CID 83001254
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
6-(5-propylthiophen-2-yl)heptane-3,4-diol
CID 83929603
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
4-methoxy-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 105109245
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)hexane-2,3-diol?
The IUPAC name of 5-(5-methylthiophen-2-yl)hexane-2,3-diol (CID 83929345) is 5-(5-methylthiophen-2-yl)hexane-2,3-diol.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)hexane-2,3-diol?
The canonical SMILES for 5-(5-methylthiophen-2-yl)hexane-2,3-diol is Cc1ccc(C(C)CC(O)C(C)O)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)hexane-2,3-diol?
The InChIKey is UVBQIORFXNSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-7(6-10(13)9(3)12)11-5-4-8(2)14-11/h4-5,7,9-10,12-13H,6H2,1-3H3.
What are the key properties of 5-(5-methylthiophen-2-yl)hexane-2,3-diol?
5-(5-methylthiophen-2-yl)hexane-2,3-diol has a molecular weight of 214.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)hexane-2,3-diol is sourced from PubChem (CID 83929345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).