4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol

C15H18O2S — CID 63016896

IUPAC4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccsc2)cc1
InChIInChI=1S/C15H18O2S/c1-17-15-6-3-12(4-7-15)2-5-14(16)10-13-8-9-18-11-13/h3-4,6-9,11,14,16H,2,5,10H2,1H3
InChIKeyAGFFBKNCURZPKJ-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.29
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol

4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol (PubChem CID 63016896) has the molecular formula C15H18O2S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
PubChem CID63016896
Molecular FormulaC15H18O2S
Molecular Weight262.37 g/mol
Exact Mass262.10
IUPAC Name4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
SMILESCOc1ccc(CCC(O)Cc2ccsc2)cc1
InChIInChI=1S/C15H18O2S/c1-17-15-6-3-12(4-7-15)2-5-14(16)10-13-8-9-18-11-13/h3-4,6-9,11,14,16H,2,5,10H2,1H3
InChIKeyAGFFBKNCURZPKJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61078016
4-(4-methoxyphenyl)-N-(1-thiophen-3-ylpropan-2-yl)butan-2-amine
CID 61473299
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
4-(1-methylpyrazol-4-yl)-1-thiophen-3-ylbutan-2-ol
CID 103027778
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
CID 65151106

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol (CID 63016896) is 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol is COc1ccc(CCC(O)Cc2ccsc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol?
The InChIKey is AGFFBKNCURZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2S/c1-17-15-6-3-12(4-7-15)2-5-14(16)10-13-8-9-18-11-13/h3-4,6-9,11,14,16H,2,5,10H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol?
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol has a molecular weight of 262.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 63016896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).