4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol

C22H16O2S — CID 11100019

IUPAC4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H16O2S/c23-18-10-6-15(7-11-18)20-14-21(16-8-12-19(24)13-9-16)25-22(20)17-4-2-1-3-5-17/h1-14,23-24H
InChIKeyHWMMJYGIAQSHCR-UHFFFAOYSA-N
MW344.44 g/mol
LogP6.16
Rot. Bonds3

About 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol

4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol (PubChem CID 11100019) has the molecular formula C22H16O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol
PubChem CID11100019
Molecular FormulaC22H16O2S
Molecular Weight344.44 g/mol
Exact Mass344.09
IUPAC Name4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H16O2S/c23-18-10-6-15(7-11-18)20-14-21(16-8-12-19(24)13-9-16)25-22(20)17-4-2-1-3-5-17/h1-14,23-24H
InChIKeyHWMMJYGIAQSHCR-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-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol (CID 11100019) is 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol is Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol?
The InChIKey is HWMMJYGIAQSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2S/c23-18-10-6-15(7-11-18)20-14-21(16-8-12-19(24)13-9-16)25-22(20)17-4-2-1-3-5-17/h1-14,23-24H.
What are the key properties of 4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol?
4-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol 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-[4-(4-hydroxyphenyl)-5-phenylthiophen-2-yl]phenol is sourced from PubChem (CID 11100019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).