1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol

C14H16OS — CID 63220765

IUPAC1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol
SMILESCc1cc(C)cc(C(C)(O)c2cccs2)c1
InChIInChI=1S/C14H16OS/c1-10-7-11(2)9-12(8-10)14(3,15)13-5-4-6-16-13/h4-9,15H,1-3H3
InChIKeyFQHMMBNFRQSTEW-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.62
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol

1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol (PubChem CID 63220765) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol
PubChem CID63220765
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol
SMILESCc1cc(C)cc(C(C)(O)c2cccs2)c1
InChIInChI=1S/C14H16OS/c1-10-7-11(2)9-12(8-10)14(3,15)13-5-4-6-16-13/h4-9,15H,1-3H3
InChIKeyFQHMMBNFRQSTEW-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol (CID 63220765) is 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol is Cc1cc(C)cc(C(C)(O)c2cccs2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol?
The InChIKey is FQHMMBNFRQSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-7-11(2)9-12(8-10)14(3,15)13-5-4-6-16-13/h4-9,15H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol?
1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol has a molecular weight of 232.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 63220765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).