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

C17H14O2S — CID 25192619

IUPAC3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1
InChIInChI=1S/C17H14O2S/c1-11-8-13(10-15(19)9-11)17-7-6-16(20-17)12-2-4-14(18)5-3-12/h2-10,18-19H,1H3
InChIKeyNWLAWEHHCISQCM-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.80
Rot. Bonds2

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

3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol (PubChem CID 25192619) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol.

Molecular Properties

Compound Name3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol
PubChem CID25192619
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol
SMILESCc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1
InChIInChI=1S/C17H14O2S/c1-11-8-13(10-15(19)9-11)17-7-6-16(20-17)12-2-4-14(18)5-3-12/h2-10,18-19H,1H3
InChIKeyNWLAWEHHCISQCM-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 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol?
The IUPAC name of 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol (CID 25192619) is 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol.
What is the SMILES notation for 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol?
The canonical SMILES for 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol is Cc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1.
What is the InChIKey of 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol?
The InChIKey is NWLAWEHHCISQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-11-8-13(10-15(19)9-11)17-7-6-16(20-17)12-2-4-14(18)5-3-12/h2-10,18-19H,1H3.
What are the key properties of 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol?
3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-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 3-[5-(4-hydroxyphenyl)thiophen-2-yl]-5-methylphenol is sourced from PubChem (CID 25192619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).