2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol

C18H24O6Si — CID 71348439

IUPAC2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C(CC[Si](C)(O)O)c2cc(O)c(C)cc2O)cc1O
InChIInChI=1S/C18H24O6Si/c1-10-6-17(21)13(8-15(10)19)12(4-5-25(3,23)24)14-9-16(20)11(2)7-18(14)22/h6-9,12,19-24H,4-5H2,1-3H3
InChIKeyKVMOYRNIAWYAAZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.70
Rot. Bonds5

About 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol

2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol (PubChem CID 71348439) has the molecular formula C18H24O6Si and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol
PubChem CID71348439
Molecular FormulaC18H24O6Si
Molecular Weight364.47 g/mol
Exact Mass364.13
IUPAC Name2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C(CC[Si](C)(O)O)c2cc(O)c(C)cc2O)cc1O
InChIInChI=1S/C18H24O6Si/c1-10-6-17(21)13(8-15(10)19)12(4-5-25(3,23)24)14-9-16(20)11(2)7-18(14)22/h6-9,12,19-24H,4-5H2,1-3H3
InChIKeyKVMOYRNIAWYAAZ-UHFFFAOYSA-N
XLogP2.70
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 52.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol?
The IUPAC name of 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol (CID 71348439) is 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol is Cc1cc(O)c(C(CC[Si](C)(O)O)c2cc(O)c(C)cc2O)cc1O.
What is the InChIKey of 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol?
The InChIKey is KVMOYRNIAWYAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6Si/c1-10-6-17(21)13(8-15(10)19)12(4-5-25(3,23)24)14-9-16(20)11(2)7-18(14)22/h6-9,12,19-24H,4-5H2,1-3H3.
What are the key properties of 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol?
2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol has a molecular weight of 364.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol is sourced from PubChem (CID 71348439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).