3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol

C16H12O2S — CID 25093395

IUPAC3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccsc2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H12O2S/c17-13-6-4-11(5-7-13)15-8-9-19-16(15)12-2-1-3-14(18)10-12/h1-10,17-18H
InChIKeyCXYJQQUQNURCPZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.49
Rot. Bonds2

About 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol

3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol (PubChem CID 25093395) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol
PubChem CID25093395
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccsc2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H12O2S/c17-13-6-4-11(5-7-13)15-8-9-19-16(15)12-2-1-3-14(18)10-12/h1-10,17-18H
InChIKeyCXYJQQUQNURCPZ-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The IUPAC name of 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol (CID 25093395) is 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol is Oc1ccc(-c2ccsc2-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol?
The InChIKey is CXYJQQUQNURCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c17-13-6-4-11(5-7-13)15-8-9-19-16(15)12-2-1-3-14(18)10-12/h1-10,17-18H.
What are the key properties of 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol?
3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol has a molecular weight of 268.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)thiophen-2-yl]phenol is sourced from PubChem (CID 25093395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).