2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol

C32H48O — CID 15349299

IUPAC2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol
SMILESCC(C)c1cc(C(C)C)c(C(=CO)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H48O/c1-18(2)24-13-26(20(5)6)31(27(14-24)21(7)8)30(17-33)32-28(22(9)10)15-25(19(3)4)16-29(32)23(11)12/h13-23,33H,1-12H3
InChIKeyXYIJDZURWHLHBU-UHFFFAOYSA-N
MW448.74 g/mol
LogP10.37
Rot. Bonds8

About 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol

2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol (PubChem CID 15349299) has the molecular formula C32H48O and a molecular weight of 448.74 g/mol. Its IUPAC name is 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol.

Molecular Properties

Compound Name2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol
PubChem CID15349299
Molecular FormulaC32H48O
Molecular Weight448.74 g/mol
Exact Mass448.37
IUPAC Name2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol
SMILESCC(C)c1cc(C(C)C)c(C(=CO)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C32H48O/c1-18(2)24-13-26(20(5)6)31(27(14-24)21(7)8)30(17-33)32-28(22(9)10)15-25(19(3)4)16-29(32)23(11)12/h13-23,33H,1-12H3
InChIKeyXYIJDZURWHLHBU-UHFFFAOYSA-N
XLogP10.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol?
The IUPAC name of 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol (CID 15349299) is 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol.
What is the SMILES notation for 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol?
The canonical SMILES for 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol is CC(C)c1cc(C(C)C)c(C(=CO)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol?
The InChIKey is XYIJDZURWHLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O/c1-18(2)24-13-26(20(5)6)31(27(14-24)21(7)8)30(17-33)32-28(22(9)10)15-25(19(3)4)16-29(32)23(11)12/h13-23,33H,1-12H3.
What are the key properties of 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol?
2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol has a molecular weight of 448.74 g/mol, XLogP of 10.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2,4,6-tri(propan-2-yl)phenyl]ethenol is sourced from PubChem (CID 15349299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).