2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol

C18H16O2S — CID 174853056

IUPAC2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3O)s2)c(O)c1
InChIInChI=1S/C18H16O2S/c1-11-3-5-13(15(19)9-11)17-7-8-18(21-17)14-6-4-12(2)10-16(14)20/h3-10,19-20H,1-2H3
InChIKeyHRBCUXPFUHFDQW-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.11
Rot. Bonds2

About 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol

2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol (PubChem CID 174853056) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol
PubChem CID174853056
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol
SMILESCc1ccc(-c2ccc(-c3ccc(C)cc3O)s2)c(O)c1
InChIInChI=1S/C18H16O2S/c1-11-3-5-13(15(19)9-11)17-7-8-18(21-17)14-6-4-12(2)10-16(14)20/h3-10,19-20H,1-2H3
InChIKeyHRBCUXPFUHFDQW-UHFFFAOYSA-N
XLogP5.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol?
The IUPAC name of 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol (CID 174853056) is 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol?
The canonical SMILES for 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol is Cc1ccc(-c2ccc(-c3ccc(C)cc3O)s2)c(O)c1.
What is the InChIKey of 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol?
The InChIKey is HRBCUXPFUHFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-11-3-5-13(15(19)9-11)17-7-8-18(21-17)14-6-4-12(2)10-16(14)20/h3-10,19-20H,1-2H3.
What are the key properties of 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol?
2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol has a molecular weight of 296.39 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxy-4-methylphenyl)thiophen-2-yl]-5-methylphenol is sourced from PubChem (CID 174853056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).