2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol

C15H18OS — CID 65099998

IUPAC2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
SMILESCc1cc(C)cc(CC(O)c2csc(C)c2)c1
InChIInChI=1S/C15H18OS/c1-10-4-11(2)6-13(5-10)8-15(16)14-7-12(3)17-9-14/h4-7,9,15-16H,8H2,1-3H3
InChIKeyGETHZEBMFXISMK-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.95
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol

2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol (PubChem CID 65099998) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
PubChem CID65099998
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
SMILESCc1cc(C)cc(CC(O)c2csc(C)c2)c1
InChIInChI=1S/C15H18OS/c1-10-4-11(2)6-13(5-10)8-15(16)14-7-12(3)17-9-14/h4-7,9,15-16H,8H2,1-3H3
InChIKeyGETHZEBMFXISMK-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophen-3-yl)-2-phenylethanol
CID 65100081
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099648
3-(dimethylamino)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 115345999
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
CID 66097358
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol (CID 65099998) is 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol is Cc1cc(C)cc(CC(O)c2csc(C)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol?
The InChIKey is GETHZEBMFXISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-10-4-11(2)6-13(5-10)8-15(16)14-7-12(3)17-9-14/h4-7,9,15-16H,8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol?
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol has a molecular weight of 246.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 65099998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).