4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol

C19H18O2S2 — CID 118264503

IUPAC4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol
SMILESCc1cc(Sc2ccc(O)cc2)cc(C(C)c2ccsc2)c1O
InChIInChI=1S/C19H18O2S2/c1-12-9-17(23-16-5-3-15(20)4-6-16)10-18(19(12)21)13(2)14-7-8-22-11-14/h3-11,13,20-21H,1-2H3
InChIKeyNJBXICIGEIMGBM-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.77
Rot. Bonds4

About 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol

4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol (PubChem CID 118264503) has the molecular formula C19H18O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol
PubChem CID118264503
Molecular FormulaC19H18O2S2
Molecular Weight342.49 g/mol
Exact Mass342.07
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol
SMILESCc1cc(Sc2ccc(O)cc2)cc(C(C)c2ccsc2)c1O
InChIInChI=1S/C19H18O2S2/c1-12-9-17(23-16-5-3-15(20)4-6-16)10-18(19(12)21)13(2)14-7-8-22-11-14/h3-11,13,20-21H,1-2H3
InChIKeyNJBXICIGEIMGBM-UHFFFAOYSA-N
XLogP5.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol (CID 118264503) is 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol is Cc1cc(Sc2ccc(O)cc2)cc(C(C)c2ccsc2)c1O.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol?
The InChIKey is NJBXICIGEIMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S2/c1-12-9-17(23-16-5-3-15(20)4-6-16)10-18(19(12)21)13(2)14-7-8-22-11-14/h3-11,13,20-21H,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol?
4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol has a molecular weight of 342.49 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-2-methyl-6-(1-thiophen-3-ylethyl)phenol is sourced from PubChem (CID 118264503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).