4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol

C22H16O2S — CID 44542652

IUPAC4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol
SMILESOc1cccc(-c2ccc(-c3ccc(O)c(-c4ccccc4)c3)s2)c1
InChIInChI=1S/C22H16O2S/c23-18-8-4-7-16(13-18)21-11-12-22(25-21)17-9-10-20(24)19(14-17)15-5-2-1-3-6-15/h1-14,23-24H
InChIKeyLNSADGPUUITYHY-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.16
Rot. Bonds3

About 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol

4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol (PubChem CID 44542652) has the molecular formula C22H16O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol
PubChem CID44542652
Molecular FormulaC22H16O2S
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol
SMILESOc1cccc(-c2ccc(-c3ccc(O)c(-c4ccccc4)c3)s2)c1
InChIInChI=1S/C22H16O2S/c23-18-8-4-7-16(13-18)21-11-12-22(25-21)17-9-10-20(24)19(14-17)15-5-2-1-3-6-15/h1-14,23-24H
InChIKeyLNSADGPUUITYHY-UHFFFAOYSA-N
XLogP6.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol?
The IUPAC name of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol (CID 44542652) is 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol.
What is the SMILES notation for 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol?
The canonical SMILES for 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol is Oc1cccc(-c2ccc(-c3ccc(O)c(-c4ccccc4)c3)s2)c1.
What is the InChIKey of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol?
The InChIKey is LNSADGPUUITYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S/c23-18-8-4-7-16(13-18)21-11-12-22(25-21)17-9-10-20(24)19(14-17)15-5-2-1-3-6-15/h1-14,23-24H.
What are the key properties of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol?
4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol has a molecular weight of 344.44 g/mol, XLogP of 6.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-phenylphenol is sourced from PubChem (CID 44542652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).