1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol

C16H20O2S — CID 61086865

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H20O2S/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3
InChIKeyZJGDWOLNEXHBFV-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol

1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 61086865) has the molecular formula C16H20O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID61086865
Molecular FormulaC16H20O2S
Molecular Weight276.40 g/mol
Exact Mass276.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H20O2S/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3
InChIKeyZJGDWOLNEXHBFV-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 61088345
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243
3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 105101400
1-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyphenyl)ethanol
CID 61087046
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol (CID 61086865) is 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cc(C)sc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is ZJGDWOLNEXHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2S/c1-11-10-15(12(2)19-11)16(17)9-6-13-4-7-14(18-3)8-5-13/h4-5,7-8,10,16-17H,6,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol?
1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 276.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61086865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).