3-(5-phenylthiophen-2-yl)phenol

C16H12OS — CID 25093384

IUPAC3-(5-phenylthiophen-2-yl)phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
InChIKeyDVGFXRZFDOGHJL-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.79
Rot. Bonds2

About 3-(5-phenylthiophen-2-yl)phenol

3-(5-phenylthiophen-2-yl)phenol (PubChem CID 25093384) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(5-phenylthiophen-2-yl)phenol.

Molecular Properties

Compound Name3-(5-phenylthiophen-2-yl)phenol
PubChem CID25093384
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name3-(5-phenylthiophen-2-yl)phenol
SMILESOc1cccc(-c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H
InChIKeyDVGFXRZFDOGHJL-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

2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol
CID 445920
4-[5-(4-Hydroxyphenyl)thiophen-2-yl]phenol
CID 14905189
Benzo(b)thiophene-3-ol
CID 10629
Benzo[b]thiophen-5-ol
CID 12203499
2-(4-Methylphenyl)-1-benzothiophen-6-ol
CID 10933614
2-Phenyl-1-benzothiophen-6-ol
CID 11117751
3-[5-(4-Hydroxyphenyl)-2-thienyl]phenol
CID 25093386
3,3'-Thiene-2,5-diyldiphenol
CID 25093387
4-[4-(3-Hydroxyphenyl)thiophen-2-yl]phenol
CID 25093389
3-[4-(4-Hydroxyphenyl)-2-thienyl]phenol
CID 25093391
3,3'-Thiene-2,4-diyldiphenol
CID 25093392
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol
CID 25192475

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylthiophen-2-yl)phenol?
The IUPAC name of 3-(5-phenylthiophen-2-yl)phenol (CID 25093384) is 3-(5-phenylthiophen-2-yl)phenol.
What is the SMILES notation for 3-(5-phenylthiophen-2-yl)phenol?
The canonical SMILES for 3-(5-phenylthiophen-2-yl)phenol is Oc1cccc(-c2ccc(-c3ccccc3)s2)c1.
What is the InChIKey of 3-(5-phenylthiophen-2-yl)phenol?
The InChIKey is DVGFXRZFDOGHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-11,17H.
What are the key properties of 3-(5-phenylthiophen-2-yl)phenol?
3-(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 3-(5-phenylthiophen-2-yl)phenol is sourced from PubChem (CID 25093384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).