4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol

C13H22O2S — CID 116752710

IUPAC4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)(OC)C(O)CCc1cccs1
InChIInChI=1S/C13H22O2S/c1-4-13(5-2,15-3)12(14)9-8-11-7-6-10-16-11/h6-7,10,12,14H,4-5,8-9H2,1-3H3
InChIKeyMUYYKJBFQZKSAT-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.25
Rot. Bonds7

About 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol

4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol (PubChem CID 116752710) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
PubChem CID116752710
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
SMILESCCC(CC)(OC)C(O)CCc1cccs1
InChIInChI=1S/C13H22O2S/c1-4-13(5-2,15-3)12(14)9-8-11-7-6-10-16-11/h6-7,10,12,14H,4-5,8-9H2,1-3H3
InChIKeyMUYYKJBFQZKSAT-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 116752420
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
4-methoxy-4-methyl-1-thiophen-2-ylhexan-3-one
CID 116746515
8-thiophen-2-yloctan-4-ol
CID 64516293
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol?
The IUPAC name of 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol (CID 116752710) is 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol is CCC(CC)(OC)C(O)CCc1cccs1.
What is the InChIKey of 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol?
The InChIKey is MUYYKJBFQZKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-4-13(5-2,15-3)12(14)9-8-11-7-6-10-16-11/h6-7,10,12,14H,4-5,8-9H2,1-3H3.
What are the key properties of 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol?
4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol has a molecular weight of 242.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 116752710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).