4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol

C30H30O4 — CID 154108469

IUPAC4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
SMILESCc1ccc(O)c(C(c2cc(C)ccc2O)C(c2cc(C)ccc2O)c2cc(C)ccc2O)c1
InChIInChI=1S/C30H30O4/c1-17-5-9-25(31)21(13-17)29(22-14-18(2)6-10-26(22)32)30(23-15-19(3)7-11-27(23)33)24-16-20(4)8-12-28(24)34/h5-16,29-34H,1-4H3
InChIKeyXRPAXETZYYVFHX-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.71
Rot. Bonds5

About 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol

4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol (PubChem CID 154108469) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
PubChem CID154108469
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
SMILESCc1ccc(O)c(C(c2cc(C)ccc2O)C(c2cc(C)ccc2O)c2cc(C)ccc2O)c1
InChIInChI=1S/C30H30O4/c1-17-5-9-25(31)21(13-17)29(22-14-18(2)6-10-26(22)32)30(23-15-19(3)7-11-27(23)33)24-16-20(4)8-12-28(24)34/h5-16,29-34H,1-4H3
InChIKeyXRPAXETZYYVFHX-UHFFFAOYSA-N
XLogP6.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
1-chloro-1-(2-hydroxy-5-methylphenyl)propan-2-one
CID 130777645
(S)-hydroxy-(2-hydroxy-5-methylphenyl)methanesulfonic acid
CID 40592817
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
3-(2-hydroxy-5-methylphenyl)-2-methylbutanethioamide
CID 83922867
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,4-dimethylphenol
CID 67713801
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol (CID 154108469) is 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol is Cc1ccc(O)c(C(c2cc(C)ccc2O)C(c2cc(C)ccc2O)c2cc(C)ccc2O)c1.
What is the InChIKey of 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol?
The InChIKey is XRPAXETZYYVFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-17-5-9-25(31)21(13-17)29(22-14-18(2)6-10-26(22)32)30(23-15-19(3)7-11-27(23)33)24-16-20(4)8-12-28(24)34/h5-16,29-34H,1-4H3.
What are the key properties of 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol?
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol has a molecular weight of 454.57 g/mol, XLogP of 6.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol is sourced from PubChem (CID 154108469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).