2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol

C10H14O2S — CID 116712674

IUPAC2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
SMILESCOC(C1CC1)C(O)c1ccsc1
InChIInChI=1S/C10H14O2S/c1-12-10(7-2-3-7)9(11)8-4-5-13-6-8/h4-7,9-11H,2-3H2,1H3
InChIKeyCLWTYGJQHKXPNM-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.21
Rot. Bonds4

About 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol

2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol (PubChem CID 116712674) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
PubChem CID116712674
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
SMILESCOC(C1CC1)C(O)c1ccsc1
InChIInChI=1S/C10H14O2S/c1-12-10(7-2-3-7)9(11)8-4-5-13-6-8/h4-7,9-11H,2-3H2,1H3
InChIKeyCLWTYGJQHKXPNM-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methoxy-N-methyl-1-thiophen-3-ylethanamine
CID 116722222
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
2-cyclopropyl-2-methoxy-1-pyridin-3-ylethanol
CID 116712495
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2-methoxy-1-thiophen-3-ylpentan-1-ol
CID 116711807
1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
CID 116722043
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
1-thiophen-3-ylethanol
CID 12744375
(1S)-1-thiophen-3-ylethanol
CID 11297979

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol (CID 116712674) is 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol is COC(C1CC1)C(O)c1ccsc1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol?
The InChIKey is CLWTYGJQHKXPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-12-10(7-2-3-7)9(11)8-4-5-13-6-8/h4-7,9-11H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol?
2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol has a molecular weight of 198.29 g/mol, XLogP of 2.21, 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-thiophen-3-ylethanol is sourced from PubChem (CID 116712674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).