2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol

C33H36O3 — CID 143901407

IUPAC2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(Cc4cc(C)ccc4O)c3C)c2C)c1
InChIInChI=1S/C33H36O3/c1-19-7-9-31(34)28(11-19)17-26-14-21(3)13-25(23(26)5)16-27-15-22(4)33(36)30(24(27)6)18-29-12-20(2)8-10-32(29)35/h7-15,34-36H,16-18H2,1-6H3
InChIKeyUOEULZAJXOOMLU-UHFFFAOYSA-N
MW480.65 g/mol
LogP7.43
Rot. Bonds6

About 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol

2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol (PubChem CID 143901407) has the molecular formula C33H36O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
PubChem CID143901407
Molecular FormulaC33H36O3
Molecular Weight480.65 g/mol
Exact Mass480.27
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(Cc4cc(C)ccc4O)c3C)c2C)c1
InChIInChI=1S/C33H36O3/c1-19-7-9-31(34)28(11-19)17-26-14-21(3)13-25(23(26)5)16-27-15-22(4)33(36)30(24(27)6)18-29-12-20(2)8-10-32(29)35/h7-15,34-36H,16-18H2,1-6H3
InChIKeyUOEULZAJXOOMLU-UHFFFAOYSA-N
XLogP7.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol (CID 143901407) is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol is Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)c(O)c(Cc4cc(C)ccc4O)c3C)c2C)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol?
The InChIKey is UOEULZAJXOOMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O3/c1-19-7-9-31(34)28(11-19)17-26-14-21(3)13-25(23(26)5)16-27-15-22(4)33(36)30(24(27)6)18-29-12-20(2)8-10-32(29)35/h7-15,34-36H,16-18H2,1-6H3.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol?
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol has a molecular weight of 480.65 g/mol, XLogP of 7.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol is sourced from PubChem (CID 143901407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).