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

C13H14OS — CID 63991510

IUPAC1-(3-methylthiophen-2-yl)-1-phenylethanol
SMILESCc1ccsc1C(C)(O)c1ccccc1
InChIInChI=1S/C13H14OS/c1-10-8-9-15-12(10)13(2,14)11-6-4-3-5-7-11/h3-9,14H,1-2H3
InChIKeyGROFQEFFNRVAPN-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.31
Rot. Bonds2

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

1-(3-methylthiophen-2-yl)-1-phenylethanol (PubChem CID 63991510) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-phenylethanol
PubChem CID63991510
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name1-(3-methylthiophen-2-yl)-1-phenylethanol
SMILESCc1ccsc1C(C)(O)c1ccccc1
InChIInChI=1S/C13H14OS/c1-10-8-9-15-12(10)13(2,14)11-6-4-3-5-7-11/h3-9,14H,1-2H3
InChIKeyGROFQEFFNRVAPN-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
CID 79990862
4-[1-hydroxy-1-(3-methylthiophen-2-yl)ethyl]benzonitrile
CID 113318948
1-(3-methylthiophen-2-yl)-1-(3-propylphenyl)ethanol
CID 116542561
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050
1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63992110
1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63990708
1-(5-fluoro-2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63991310
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)thiophen-3-yl]ethanol
CID 112745483
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 63992707

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylethanol?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylethanol (CID 63991510) is 1-(3-methylthiophen-2-yl)-1-phenylethanol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-phenylethanol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-phenylethanol is Cc1ccsc1C(C)(O)c1ccccc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-phenylethanol?
The InChIKey is GROFQEFFNRVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-10-8-9-15-12(10)13(2,14)11-6-4-3-5-7-11/h3-9,14H,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-phenylethanol?
1-(3-methylthiophen-2-yl)-1-phenylethanol has a molecular weight of 218.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-phenylethanol is sourced from PubChem (CID 63991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).