4-phenyl-3-thiophen-3-ylphenol

C16H12OS — CID 141017100

IUPAC4-phenyl-3-thiophen-3-ylphenol
SMILESOc1ccc(-c2ccccc2)c(-c2ccsc2)c1
InChIInChI=1S/C16H12OS/c17-14-6-7-15(12-4-2-1-3-5-12)16(10-14)13-8-9-18-11-13/h1-11,17H
InChIKeyOHZBEAAGDLEVLO-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.79
Rot. Bonds2

About 4-phenyl-3-thiophen-3-ylphenol

4-phenyl-3-thiophen-3-ylphenol (PubChem CID 141017100) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-phenyl-3-thiophen-3-ylphenol.

Molecular Properties

Compound Name4-phenyl-3-thiophen-3-ylphenol
PubChem CID141017100
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name4-phenyl-3-thiophen-3-ylphenol
SMILESOc1ccc(-c2ccccc2)c(-c2ccsc2)c1
InChIInChI=1S/C16H12OS/c17-14-6-7-15(12-4-2-1-3-5-12)16(10-14)13-8-9-18-11-13/h1-11,17H
InChIKeyOHZBEAAGDLEVLO-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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Related Compounds

3,4-diphenylphenol;sulfane
CID 172728711
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
4-phenyl-3-silylphenol
CID 137329798
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
3-(4-ethylsulfonylphenyl)-4-phenylphenol
CID 67689499
3-(2,3-diphenylphenyl)thiophene;fluoroform;sulfane
CID 174411937
4-thiophen-3-ylphenol
CID 4130342
cyclopenta[c]thiopyran
CID 584139
2-benzyl-3-[2-(4-phenyl-3-thiophen-3-ylphenoxy)phenyl]propanoic acid
CID 70209700
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-thiophen-3-ylphenol?
The IUPAC name of 4-phenyl-3-thiophen-3-ylphenol (CID 141017100) is 4-phenyl-3-thiophen-3-ylphenol.
What is the SMILES notation for 4-phenyl-3-thiophen-3-ylphenol?
The canonical SMILES for 4-phenyl-3-thiophen-3-ylphenol is Oc1ccc(-c2ccccc2)c(-c2ccsc2)c1.
What is the InChIKey of 4-phenyl-3-thiophen-3-ylphenol?
The InChIKey is OHZBEAAGDLEVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-14-6-7-15(12-4-2-1-3-5-12)16(10-14)13-8-9-18-11-13/h1-11,17H.
What are the key properties of 4-phenyl-3-thiophen-3-ylphenol?
4-phenyl-3-thiophen-3-ylphenol 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-phenyl-3-thiophen-3-ylphenol is sourced from PubChem (CID 141017100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).