5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol

C16H18O2S — CID 175139698

IUPAC5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCc1ccc(C=Cc2cc(O)c(C(C)C)c(O)c2)s1
InChIInChI=1S/C16H18O2S/c1-10(2)16-14(17)8-12(9-15(16)18)5-7-13-6-4-11(3)19-13/h4-10,17-18H,1-3H3
InChIKeyZBIDIXBSNNYBPK-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.76
Rot. Bonds3

About 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol

5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 175139698) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID175139698
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCc1ccc(C=Cc2cc(O)c(C(C)C)c(O)c2)s1
InChIInChI=1S/C16H18O2S/c1-10(2)16-14(17)8-12(9-15(16)18)5-7-13-6-4-11(3)19-13/h4-10,17-18H,1-3H3
InChIKeyZBIDIXBSNNYBPK-UHFFFAOYSA-N
XLogP4.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (CID 175139698) is 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is Cc1ccc(C=Cc2cc(O)c(C(C)C)c(O)c2)s1.
What is the InChIKey of 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is ZBIDIXBSNNYBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-10(2)16-14(17)8-12(9-15(16)18)5-7-13-6-4-11(3)19-13/h4-10,17-18H,1-3H3.
What are the key properties of 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 274.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylthiophen-2-yl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 175139698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).