3-(propan-2-yloxymethyl)thiophene

C8H12OS — CID 146745191

IUPAC3-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccsc1
InChIInChI=1S/C8H12OS/c1-7(2)9-5-8-3-4-10-6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyRLWCDVHFTFAIEE-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.67
Rot. Bonds3

About 3-(propan-2-yloxymethyl)thiophene

3-(propan-2-yloxymethyl)thiophene (PubChem CID 146745191) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)thiophene.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)thiophene
PubChem CID146745191
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-(propan-2-yloxymethyl)thiophene
SMILESCC(C)OCc1ccsc1
InChIInChI=1S/C8H12OS/c1-7(2)9-5-8-3-4-10-6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyRLWCDVHFTFAIEE-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
3-(2-fluoropropyl)thiophene
CID 74766003
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223
3-(2,3-dimethyloctyl)thiophene
CID 22501098
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
3-ethoxy-4-methyl-1-thiophen-3-ylpentan-2-one
CID 116708767
1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 111753828
thiophen-3-ylmethyl 3-hydroxy-3-(thiophen-3-ylmethoxy)propanoate
CID 59476020

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)thiophene?
The IUPAC name of 3-(propan-2-yloxymethyl)thiophene (CID 146745191) is 3-(propan-2-yloxymethyl)thiophene.
What is the SMILES notation for 3-(propan-2-yloxymethyl)thiophene?
The canonical SMILES for 3-(propan-2-yloxymethyl)thiophene is CC(C)OCc1ccsc1.
What is the InChIKey of 3-(propan-2-yloxymethyl)thiophene?
The InChIKey is RLWCDVHFTFAIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7(2)9-5-8-3-4-10-6-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-(propan-2-yloxymethyl)thiophene?
3-(propan-2-yloxymethyl)thiophene has a molecular weight of 156.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)thiophene is sourced from PubChem (CID 146745191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).