3-methoxy-1-thiophen-3-ylpropan-1-ol

C8H12O2S — CID 62608736

IUPAC3-methoxy-1-thiophen-3-ylpropan-1-ol
SMILESCOCCC(O)c1ccsc1
InChIInChI=1S/C8H12O2S/c1-10-4-2-8(9)7-3-5-11-6-7/h3,5-6,8-9H,2,4H2,1H3
InChIKeyMTBICJCATZYRFO-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.82
Rot. Bonds4

About 3-methoxy-1-thiophen-3-ylpropan-1-ol

3-methoxy-1-thiophen-3-ylpropan-1-ol (PubChem CID 62608736) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-methoxy-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-thiophen-3-ylpropan-1-ol
PubChem CID62608736
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3-methoxy-1-thiophen-3-ylpropan-1-ol
SMILESCOCCC(O)c1ccsc1
InChIInChI=1S/C8H12O2S/c1-10-4-2-8(9)7-3-5-11-6-7/h3,5-6,8-9H,2,4H2,1H3
InChIKeyMTBICJCATZYRFO-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-[2-(3-methoxypropoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435055
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
3-methoxy-1-(4-propan-2-ylphenyl)propan-1-ol
CID 62607398
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
3-methoxy-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099648
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
CID 105102674
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 105102698
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of 3-methoxy-1-thiophen-3-ylpropan-1-ol (CID 62608736) is 3-methoxy-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 3-methoxy-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 3-methoxy-1-thiophen-3-ylpropan-1-ol is COCCC(O)c1ccsc1.
What is the InChIKey of 3-methoxy-1-thiophen-3-ylpropan-1-ol?
The InChIKey is MTBICJCATZYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-10-4-2-8(9)7-3-5-11-6-7/h3,5-6,8-9H,2,4H2,1H3.
What are the key properties of 3-methoxy-1-thiophen-3-ylpropan-1-ol?
3-methoxy-1-thiophen-3-ylpropan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 62608736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).