1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol

C16H20O2S — CID 62606842

IUPAC1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCOc1cccc(C(O)Cc2ccc(CC)s2)c1
InChIInChI=1S/C16H20O2S/c1-3-14-8-9-15(19-14)11-16(17)12-6-5-7-13(10-12)18-4-2/h5-10,16-17H,3-4,11H2,1-2H3
InChIKeyXCPDFTLSMCIROR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.99
Rot. Bonds6

About 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol

1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 62606842) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID62606842
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCOc1cccc(C(O)Cc2ccc(CC)s2)c1
InChIInChI=1S/C16H20O2S/c1-3-14-8-9-15(19-14)11-16(17)12-6-5-7-13(10-12)18-4-2/h5-10,16-17H,3-4,11H2,1-2H3
InChIKeyXCPDFTLSMCIROR-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
[2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191718
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(1R)-1-[3-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 55190446
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol (CID 62606842) is 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol is CCOc1cccc(C(O)Cc2ccc(CC)s2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is XCPDFTLSMCIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-3-14-8-9-15(19-14)11-16(17)12-6-5-7-13(10-12)18-4-2/h5-10,16-17H,3-4,11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 276.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 62606842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).