3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol

C29H28O4 — CID 153325022

IUPAC3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
SMILESCc1cc(O)ccc1C(c1ccc(O)cc1C)(c1ccc(O)cc1C)c1ccc(O)cc1C
InChIInChI=1S/C29H28O4/c1-17-13-21(30)5-9-25(17)29(26-10-6-22(31)14-18(26)2,27-11-7-23(32)15-19(27)3)28-12-8-24(33)16-20(28)4/h5-16,30-33H,1-4H3
InChIKeyMUAQJGHHCBMEGW-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.13
Rot. Bonds4

About 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol

3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol (PubChem CID 153325022) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
PubChem CID153325022
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
SMILESCc1cc(O)ccc1C(c1ccc(O)cc1C)(c1ccc(O)cc1C)c1ccc(O)cc1C
InChIInChI=1S/C29H28O4/c1-17-13-21(30)5-9-25(17)29(26-10-6-22(31)14-18(26)2,27-11-7-23(32)15-19(27)3)28-12-8-24(33)16-20(28)4/h5-16,30-33H,1-4H3
InChIKeyMUAQJGHHCBMEGW-UHFFFAOYSA-N
XLogP6.13
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol?
The IUPAC name of 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol (CID 153325022) is 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol.
What is the SMILES notation for 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol?
The canonical SMILES for 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol is Cc1cc(O)ccc1C(c1ccc(O)cc1C)(c1ccc(O)cc1C)c1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol?
The InChIKey is MUAQJGHHCBMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-17-13-21(30)5-9-25(17)29(26-10-6-22(31)14-18(26)2,27-11-7-23(32)15-19(27)3)28-12-8-24(33)16-20(28)4/h5-16,30-33H,1-4H3.
What are the key properties of 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol?
3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol has a molecular weight of 440.54 g/mol, XLogP of 6.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol is sourced from PubChem (CID 153325022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).