1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol

C15H18O2S — CID 114910713

IUPAC1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCCOc1ccc(C(C)(O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H18O2S/c1-4-17-13-8-6-12(7-9-13)15(3,16)14-10-5-11(2)18-14/h5-10,16H,4H2,1-3H3
InChIKeyYXYXZFGVEMWZCS-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol

1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 114910713) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID114910713
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCCOc1ccc(C(C)(O)c2ccc(C)s2)cc1
InChIInChI=1S/C15H18O2S/c1-4-17-13-8-6-12(7-9-13)15(3,16)14-10-5-11(2)18-14/h5-10,16H,4H2,1-3H3
InChIKeyYXYXZFGVEMWZCS-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 62788302
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
1-(4-ethoxyphenyl)-1-(4-methylphenyl)ethanamine
CID 62788691
1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
2-[2-[2-(4-ethoxyphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424103
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol (CID 114910713) is 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol is CCOc1ccc(C(C)(O)c2ccc(C)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is YXYXZFGVEMWZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-4-17-13-8-6-12(7-9-13)15(3,16)14-10-5-11(2)18-14/h5-10,16H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol?
1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 262.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114910713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).