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

C17H14O2S — CID 25192475

IUPAC4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
SMILESCc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O
InChIInChI=1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
InChIKeyICDRVGLMFQWTDX-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.80
Rot. Bonds2

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

4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol (PubChem CID 25192475) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
PubChem CID25192475
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
SMILESCc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O
InChIInChI=1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
InChIKeyICDRVGLMFQWTDX-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-2-yl]-2-methylphenol?
The IUPAC name of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol (CID 25192475) is 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol.
What is the SMILES notation for 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol?
The canonical SMILES for 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol is Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O.
What is the InChIKey of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol?
The InChIKey is ICDRVGLMFQWTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3.
What are the key properties of 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol?
4-[5-(3-hydroxyphenyl)thiophen-2-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-2-yl]-2-methylphenol is sourced from PubChem (CID 25192475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).