3-(5-ethylthiophen-2-yl)butan-2-ol

C10H16OS — CID 66436532

IUPAC3-(5-ethylthiophen-2-yl)butan-2-ol
SMILESCCc1ccc(C(C)C(C)O)s1
InChIInChI=1S/C10H16OS/c1-4-9-5-6-10(12-9)7(2)8(3)11/h5-8,11H,4H2,1-3H3
InChIKeyOKFXOBCMNRCLLS-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.79
Rot. Bonds3

About 3-(5-ethylthiophen-2-yl)butan-2-ol

3-(5-ethylthiophen-2-yl)butan-2-ol (PubChem CID 66436532) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)butan-2-ol
PubChem CID66436532
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name3-(5-ethylthiophen-2-yl)butan-2-ol
SMILESCCc1ccc(C(C)C(C)O)s1
InChIInChI=1S/C10H16OS/c1-4-9-5-6-10(12-9)7(2)8(3)11/h5-8,11H,4H2,1-3H3
InChIKeyOKFXOBCMNRCLLS-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
(2,5-dimethylfuran-3-yl)-(5-ethylthiophen-2-yl)methanol
CID 61099322
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
(3-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 63796271
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)butan-2-ol?
The IUPAC name of 3-(5-ethylthiophen-2-yl)butan-2-ol (CID 66436532) is 3-(5-ethylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)butan-2-ol is CCc1ccc(C(C)C(C)O)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)butan-2-ol?
The InChIKey is OKFXOBCMNRCLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-9-5-6-10(12-9)7(2)8(3)11/h5-8,11H,4H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)butan-2-ol?
3-(5-ethylthiophen-2-yl)butan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 66436532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).