2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol

C15H18O2S — CID 81129167

IUPAC2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H18O2S/c1-10-4-5-12(8-11(10)2)9-13(16)15-14(17-3)6-7-18-15/h4-8,13,16H,9H2,1-3H3
InChIKeyCCTQJIDLCXVANH-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.65
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol

2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol (PubChem CID 81129167) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol
PubChem CID81129167
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H18O2S/c1-10-4-5-12(8-11(10)2)9-13(16)15-14(17-3)6-7-18-15/h4-8,13,16H,9H2,1-3H3
InChIKeyCCTQJIDLCXVANH-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129535
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-3-methoxythiophene
CID 81129753
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760
2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol (CID 81129167) is 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol is COc1ccsc1C(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The InChIKey is CCTQJIDLCXVANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-10-4-5-12(8-11(10)2)9-13(16)15-14(17-3)6-7-18-15/h4-8,13,16H,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol?
2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol has a molecular weight of 262.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 81129167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).