3-(4-methoxythiophen-3-yl)propan-1-ol

C8H12O2S — CID 68749892

IUPAC3-(4-methoxythiophen-3-yl)propan-1-ol
SMILESCOc1cscc1CCCO
InChIInChI=1S/C8H12O2S/c1-10-8-6-11-5-7(8)3-2-4-9/h5-6,9H,2-4H2,1H3
InChIKeyJEPIRTDCEWCNME-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.68
Rot. Bonds4

About 3-(4-methoxythiophen-3-yl)propan-1-ol

3-(4-methoxythiophen-3-yl)propan-1-ol (PubChem CID 68749892) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(4-methoxythiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxythiophen-3-yl)propan-1-ol
PubChem CID68749892
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3-(4-methoxythiophen-3-yl)propan-1-ol
SMILESCOc1cscc1CCCO
InChIInChI=1S/C8H12O2S/c1-10-8-6-11-5-7(8)3-2-4-9/h5-6,9H,2-4H2,1H3
InChIKeyJEPIRTDCEWCNME-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxythiophen-3-yl)ethanol
CID 46832003
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
acetic acid;(4-methoxythiophen-3-yl)methanamine
CID 162342941
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxythiophen-3-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxythiophen-3-yl)propan-1-ol (CID 68749892) is 3-(4-methoxythiophen-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxythiophen-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxythiophen-3-yl)propan-1-ol is COc1cscc1CCCO.
What is the InChIKey of 3-(4-methoxythiophen-3-yl)propan-1-ol?
The InChIKey is JEPIRTDCEWCNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-10-8-6-11-5-7(8)3-2-4-9/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-(4-methoxythiophen-3-yl)propan-1-ol?
3-(4-methoxythiophen-3-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxythiophen-3-yl)propan-1-ol is sourced from PubChem (CID 68749892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).