2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol

C18H30O4 — CID 59095314

IUPAC2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O
InChIInChI=1S/C18H30O4/c1-15(2,19)11-9-13(17(5,6)21)14(18(7,8)22)10-12(11)16(3,4)20/h9-10,19-22H,1-8H3
InChIKeyJNNNURODXTUYFI-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.60
Rot. Bonds4

About 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol

2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 59095314) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID59095314
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O
InChIInChI=1S/C18H30O4/c1-15(2,19)11-9-13(17(5,6)21)14(18(7,8)22)10-12(11)16(3,4)20/h9-10,19-22H,1-8H3
InChIKeyJNNNURODXTUYFI-UHFFFAOYSA-N
XLogP2.60
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 59095314) is 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(C(C)(C)O)c(C(C)(C)O)cc1C(C)(C)O.
What is the InChIKey of 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is JNNNURODXTUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-15(2,19)11-9-13(17(5,6)21)14(18(7,8)22)10-12(11)16(3,4)20/h9-10,19-22H,1-8H3.
What are the key properties of 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 310.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 59095314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).