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

C15H18OS — CID 63990708

IUPAC1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2sccc2C)c1
InChIInChI=1S/C15H18OS/c1-10-5-6-11(2)13(9-10)15(4,16)14-12(3)7-8-17-14/h5-9,16H,1-4H3
InChIKeyMZCORRVCHDLVMP-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.93
Rot. Bonds2

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

1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 63990708) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID63990708
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C)c(C(C)(O)c2sccc2C)c1
InChIInChI=1S/C15H18OS/c1-10-5-6-11(2)13(9-10)15(4,16)14-12(3)7-8-17-14/h5-9,16H,1-4H3
InChIKeyMZCORRVCHDLVMP-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol (CID 63990708) is 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccc(C)c(C(C)(O)c2sccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is MZCORRVCHDLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-10-5-6-11(2)13(9-10)15(4,16)14-12(3)7-8-17-14/h5-9,16H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol?
1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 246.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 63990708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).