1-(2,5-dimethylthiophen-3-yl)butan-2-ol

C10H16OS — CID 145366912

IUPAC1-(2,5-dimethylthiophen-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyLHIHRDZQZSPMRJ-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.68
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)butan-2-ol

1-(2,5-dimethylthiophen-3-yl)butan-2-ol (PubChem CID 145366912) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)butan-2-ol
PubChem CID145366912
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)butan-2-ol
SMILESCCC(O)Cc1cc(C)sc1C
InChIInChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3
InChIKeyLHIHRDZQZSPMRJ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dimethylthiophen-3-yl)methylamino]propane-1,2-diol
CID 66177586
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-ethylpentan-2-amine
CID 63842249
2-(2,5-dimethylthiophen-3-yl)acetamide
CID 24973291
2-(2,5-dimethylthiophen-3-yl)acetate
CID 23381923
4-[(2,5-dimethylthiophen-3-yl)methylamino]butan-2-ol
CID 64911526
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]-2-methylbutan-1-amine
CID 115887531
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
2,5-dimethyl-3-(propoxymethyl)thiophene
CID 174163703
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-(2,5-dimethylthiophen-3-yl)acetaldehyde
CID 64868768

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol (CID 145366912) is 1-(2,5-dimethylthiophen-3-yl)butan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)butan-2-ol is CCC(O)Cc1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
The InChIKey is LHIHRDZQZSPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-4-10(11)6-9-5-7(2)12-8(9)3/h5,10-11H,4,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)butan-2-ol?
1-(2,5-dimethylthiophen-3-yl)butan-2-ol has a molecular weight of 184.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)butan-2-ol is sourced from PubChem (CID 145366912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).