4-(5-ethylthiophen-2-yl)hexane-1,2-diol

C12H20O2S — CID 83929463

IUPAC4-(5-ethylthiophen-2-yl)hexane-1,2-diol
SMILESCCc1ccc(C(CC)CC(O)CO)s1
InChIInChI=1S/C12H20O2S/c1-3-9(7-10(14)8-13)12-6-5-11(4-2)15-12/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3
InChIKeyMJSRRKMNBYXHMS-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.55
Rot. Bonds6

About 4-(5-ethylthiophen-2-yl)hexane-1,2-diol

4-(5-ethylthiophen-2-yl)hexane-1,2-diol (PubChem CID 83929463) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)hexane-1,2-diol.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)hexane-1,2-diol
PubChem CID83929463
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name4-(5-ethylthiophen-2-yl)hexane-1,2-diol
SMILESCCc1ccc(C(CC)CC(O)CO)s1
InChIInChI=1S/C12H20O2S/c1-3-9(7-10(14)8-13)12-6-5-11(4-2)15-12/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3
InChIKeyMJSRRKMNBYXHMS-UHFFFAOYSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)hexane-1,2-diol?
The IUPAC name of 4-(5-ethylthiophen-2-yl)hexane-1,2-diol (CID 83929463) is 4-(5-ethylthiophen-2-yl)hexane-1,2-diol.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)hexane-1,2-diol?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)hexane-1,2-diol is CCc1ccc(C(CC)CC(O)CO)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)hexane-1,2-diol?
The InChIKey is MJSRRKMNBYXHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-3-9(7-10(14)8-13)12-6-5-11(4-2)15-12/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)hexane-1,2-diol?
4-(5-ethylthiophen-2-yl)hexane-1,2-diol has a molecular weight of 228.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)hexane-1,2-diol is sourced from PubChem (CID 83929463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).