1-(5-methylthiophen-3-yl)-2-phenylethanol

C13H14OS — CID 65100081

IUPAC1-(5-methylthiophen-3-yl)-2-phenylethanol
SMILESCc1cc(C(O)Cc2ccccc2)cs1
InChIInChI=1S/C13H14OS/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3
InChIKeySJRKFGFFQUELQF-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.33
Rot. Bonds3

About 1-(5-methylthiophen-3-yl)-2-phenylethanol

1-(5-methylthiophen-3-yl)-2-phenylethanol (PubChem CID 65100081) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-2-phenylethanol
PubChem CID65100081
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name1-(5-methylthiophen-3-yl)-2-phenylethanol
SMILESCc1cc(C(O)Cc2ccccc2)cs1
InChIInChI=1S/C13H14OS/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3
InChIKeySJRKFGFFQUELQF-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
CID 66097358
(1R)-1,2-diphenylethanol
CID 1379022
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
[1-(5-methylthiophen-3-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228237
[2-(4-bromophenyl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105195665
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
N-methyl-2-(4-methylphenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104510

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-2-phenylethanol?
The IUPAC name of 1-(5-methylthiophen-3-yl)-2-phenylethanol (CID 65100081) is 1-(5-methylthiophen-3-yl)-2-phenylethanol.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-2-phenylethanol?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-2-phenylethanol is Cc1cc(C(O)Cc2ccccc2)cs1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-2-phenylethanol?
The InChIKey is SJRKFGFFQUELQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-10-7-12(9-15-10)13(14)8-11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-2-phenylethanol?
1-(5-methylthiophen-3-yl)-2-phenylethanol has a molecular weight of 218.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-2-phenylethanol is sourced from PubChem (CID 65100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).