2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol

C11H16O2S — CID 116712529

IUPAC2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol
SMILESCOC(C1CC1)C(O)c1ccc(C)s1
InChIInChI=1S/C11H16O2S/c1-7-3-6-9(14-7)10(12)11(13-2)8-4-5-8/h3,6,8,10-12H,4-5H2,1-2H3
InChIKeyNZBQQNNGKOZWSY-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.51
Rot. Bonds4

About 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol

2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 116712529) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol
PubChem CID116712529
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol
SMILESCOC(C1CC1)C(O)c1ccc(C)s1
InChIInChI=1S/C11H16O2S/c1-7-3-6-9(14-7)10(12)11(13-2)8-4-5-8/h3,6,8,10-12H,4-5H2,1-2H3
InChIKeyNZBQQNNGKOZWSY-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225
2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
CID 116712674
(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
CID 64739414
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
2-cyclopropyl-N-methyl-2-(5-methylthiophen-2-yl)ethanamine
CID 83831086
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
4-methoxy-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 105109245
2-[bromo(cyclopentyl)methyl]-5-methylthiophene
CID 63435697
(4-cyclopropylphenyl)-(5-methylthiophen-2-yl)methanol
CID 79980013
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol (CID 116712529) is 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol is COC(C1CC1)C(O)c1ccc(C)s1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is NZBQQNNGKOZWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-3-6-9(14-7)10(12)11(13-2)8-4-5-8/h3,6,8,10-12H,4-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol?
2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 116712529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).