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

C17H14O2S — CID 25192621

IUPAC4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol
SMILESCc1cc(-c2csc(-c3cccc(O)c3)c2)ccc1O
InChIInChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
InChIKeySTFVOGWUKNAWOF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.80
Rot. Bonds2

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

4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol (PubChem CID 25192621) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol
PubChem CID25192621
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol
SMILESCc1cc(-c2csc(-c3cccc(O)c3)c2)ccc1O
InChIInChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3
InChIKeySTFVOGWUKNAWOF-UHFFFAOYSA-N
XLogP4.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.80
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-3-yl]-2-methylphenol?
The IUPAC name of 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol (CID 25192621) is 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol?
The canonical SMILES for 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol is Cc1cc(-c2csc(-c3cccc(O)c3)c2)ccc1O.
What is the InChIKey of 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol?
The InChIKey is STFVOGWUKNAWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-7-12(5-6-16(11)19)14-9-17(20-10-14)13-3-2-4-15(18)8-13/h2-10,18-19H,1H3.
What are the key properties of 4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol?
4-[5-(3-hydroxyphenyl)thiophen-3-yl]-2-methylphenol has a molecular weight of 282.36 g/mol, XLogP of 4.80, 2 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-3-yl]-2-methylphenol is sourced from PubChem (CID 25192621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).