2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol

C10H18OS — CID 118437141

IUPAC2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol
SMILESCC(C)C1=CCC(C)(CCO)S1
InChIInChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4,8,11H,5-7H2,1-3H3
InChIKeyZXMFYVMQQHWFIE-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol

2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol (PubChem CID 118437141) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol
PubChem CID118437141
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol
SMILESCC(C)C1=CCC(C)(CCO)S1
InChIInChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4,8,11H,5-7H2,1-3H3
InChIKeyZXMFYVMQQHWFIE-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol?
The IUPAC name of 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol (CID 118437141) is 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol is CC(C)C1=CCC(C)(CCO)S1.
What is the InChIKey of 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol?
The InChIKey is ZXMFYVMQQHWFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h4,8,11H,5-7H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol?
2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol has a molecular weight of 186.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-yl-3H-thiophen-2-yl)ethanol is sourced from PubChem (CID 118437141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).