2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol

C22H22O4 — CID 20686625

IUPAC2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol
SMILESCOc1cc(-c2ccc(C)cc2)c(OC)c(O)c1-c1ccc(O)c(C)c1
InChIInChI=1S/C22H22O4/c1-13-5-7-15(8-6-13)17-12-19(25-3)20(21(24)22(17)26-4)16-9-10-18(23)14(2)11-16/h5-12,23-24H,1-4H3
InChIKeyPQWZAXORYPTYIU-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.07
Rot. Bonds4

About 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol

2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol (PubChem CID 20686625) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol
PubChem CID20686625
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol
SMILESCOc1cc(-c2ccc(C)cc2)c(OC)c(O)c1-c1ccc(O)c(C)c1
InChIInChI=1S/C22H22O4/c1-13-5-7-15(8-6-13)17-12-19(25-3)20(21(24)22(17)26-4)16-9-10-18(23)14(2)11-16/h5-12,23-24H,1-4H3
InChIKeyPQWZAXORYPTYIU-UHFFFAOYSA-N
XLogP5.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol?
The IUPAC name of 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol (CID 20686625) is 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol.
What is the SMILES notation for 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol?
The canonical SMILES for 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol is COc1cc(-c2ccc(C)cc2)c(OC)c(O)c1-c1ccc(O)c(C)c1.
What is the InChIKey of 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol?
The InChIKey is PQWZAXORYPTYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-13-5-7-15(8-6-13)17-12-19(25-3)20(21(24)22(17)26-4)16-9-10-18(23)14(2)11-16/h5-12,23-24H,1-4H3.
What are the key properties of 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol?
2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol has a molecular weight of 350.41 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylphenyl)-3,6-dimethoxy-5-(4-methylphenyl)phenol is sourced from PubChem (CID 20686625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).