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

C18H16O2S — CID 71296056

IUPAC4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)s1
InChIInChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3
InChIKeyYNNUHVCXPCSFPM-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.11
Rot. Bonds2

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

4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol (PubChem CID 71296056) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol
PubChem CID71296056
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)s1
InChIInChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3
InChIKeyYNNUHVCXPCSFPM-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 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol?
The IUPAC name of 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol (CID 71296056) is 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol is Cc1cc(O)ccc1-c1ccc(-c2ccc(O)cc2C)s1.
What is the InChIKey of 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol?
The InChIKey is YNNUHVCXPCSFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3.
What are the key properties of 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol?
4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-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 4-[5-(4-hydroxy-2-methylphenyl)thiophen-2-yl]-3-methylphenol is sourced from PubChem (CID 71296056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).