4-(5-phenylthiophen-2-yl)phenol

C16H12OS — CID 25093385

IUPAC4-(5-phenylthiophen-2-yl)phenol
SMILESOc1ccc(-c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H12OS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11,17H
InChIKeyCSKBVNGOXRUSFF-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.79
Rot. Bonds2

About 4-(5-phenylthiophen-2-yl)phenol

4-(5-phenylthiophen-2-yl)phenol (PubChem CID 25093385) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-(5-phenylthiophen-2-yl)phenol.

Molecular Properties

Compound Name4-(5-phenylthiophen-2-yl)phenol
PubChem CID25093385
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name4-(5-phenylthiophen-2-yl)phenol
SMILESOc1ccc(-c2ccc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H12OS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11,17H
InChIKeyCSKBVNGOXRUSFF-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthiophen-2-yl)phenol?
The IUPAC name of 4-(5-phenylthiophen-2-yl)phenol (CID 25093385) is 4-(5-phenylthiophen-2-yl)phenol.
What is the SMILES notation for 4-(5-phenylthiophen-2-yl)phenol?
The canonical SMILES for 4-(5-phenylthiophen-2-yl)phenol is Oc1ccc(-c2ccc(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-(5-phenylthiophen-2-yl)phenol?
The InChIKey is CSKBVNGOXRUSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-14-8-6-13(7-9-14)16-11-10-15(18-16)12-4-2-1-3-5-12/h1-11,17H.
What are the key properties of 4-(5-phenylthiophen-2-yl)phenol?
4-(5-phenylthiophen-2-yl)phenol has a molecular weight of 252.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylthiophen-2-yl)phenol is sourced from PubChem (CID 25093385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).