2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol

C21H20O3 — CID 150395203

IUPAC2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
SMILESCc1cc(-c2ccc(O)c(C)c2)c(O)c(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C21H20O3/c1-12-8-17(15-4-6-19(22)13(2)10-15)21(24)18(9-12)16-5-7-20(23)14(3)11-16/h4-11,22-24H,1-3H3
InChIKeyHCOOAVNHWLKOSC-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.06
Rot. Bonds2

About 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol

2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol (PubChem CID 150395203) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
PubChem CID150395203
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
SMILESCc1cc(-c2ccc(O)c(C)c2)c(O)c(-c2ccc(O)c(C)c2)c1
InChIInChI=1S/C21H20O3/c1-12-8-17(15-4-6-19(22)13(2)10-15)21(24)18(9-12)16-5-7-20(23)14(3)11-16/h4-11,22-24H,1-3H3
InChIKeyHCOOAVNHWLKOSC-UHFFFAOYSA-N
XLogP5.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol?
The IUPAC name of 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol (CID 150395203) is 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol?
The canonical SMILES for 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol is Cc1cc(-c2ccc(O)c(C)c2)c(O)c(-c2ccc(O)c(C)c2)c1.
What is the InChIKey of 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol?
The InChIKey is HCOOAVNHWLKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-12-8-17(15-4-6-19(22)13(2)10-15)21(24)18(9-12)16-5-7-20(23)14(3)11-16/h4-11,22-24H,1-3H3.
What are the key properties of 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol?
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol has a molecular weight of 320.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol is sourced from PubChem (CID 150395203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).