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

C19H18O2S — CID 71624797

IUPAC4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cc(C)c(-c2ccc(O)cc2C)s1
InChIInChI=1S/C19H18O2S/c1-11-8-14(20)4-6-16(11)18-10-13(3)19(22-18)17-7-5-15(21)9-12(17)2/h4-10,20-21H,1-3H3
InChIKeyBDPFAHPWEFSOHU-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.42
Rot. Bonds2

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

4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol (PubChem CID 71624797) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol
PubChem CID71624797
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1cc(C)c(-c2ccc(O)cc2C)s1
InChIInChI=1S/C19H18O2S/c1-11-8-14(20)4-6-16(11)18-10-13(3)19(22-18)17-7-5-15(21)9-12(17)2/h4-10,20-21H,1-3H3
InChIKeyBDPFAHPWEFSOHU-UHFFFAOYSA-N
XLogP5.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.42
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)-4-methylthiophen-2-yl]-3-methylphenol?
The IUPAC name of 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol (CID 71624797) is 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol is Cc1cc(O)ccc1-c1cc(C)c(-c2ccc(O)cc2C)s1.
What is the InChIKey of 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol?
The InChIKey is BDPFAHPWEFSOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-11-8-14(20)4-6-16(11)18-10-13(3)19(22-18)17-7-5-15(21)9-12(17)2/h4-10,20-21H,1-3H3.
What are the key properties of 4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol?
4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol has a molecular weight of 310.42 g/mol, XLogP of 5.42, 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)-4-methylthiophen-2-yl]-3-methylphenol is sourced from PubChem (CID 71624797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).