1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione

C18H18O3 — CID 10978915

IUPAC1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione
SMILESCc1c(C)c(C(=O)C(=O)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C18H18O3/c1-10-12(3)16(19)13(4)11(2)15(10)18(21)17(20)14-8-6-5-7-9-14/h5-9,19H,1-4H3
InChIKeyGRQTWQFORYZHHF-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione

1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione (PubChem CID 10978915) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione
PubChem CID10978915
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione
SMILESCc1c(C)c(C(=O)C(=O)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C18H18O3/c1-10-12(3)16(19)13(4)11(2)15(10)18(21)17(20)14-8-6-5-7-9-14/h5-9,19H,1-4H3
InChIKeyGRQTWQFORYZHHF-UHFFFAOYSA-N
XLogP3.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione (CID 10978915) is 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione is Cc1c(C)c(C(=O)C(=O)c2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione?
The InChIKey is GRQTWQFORYZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-10-12(3)16(19)13(4)11(2)15(10)18(21)17(20)14-8-6-5-7-9-14/h5-9,19H,1-4H3.
What are the key properties of 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione?
1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione has a molecular weight of 282.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3,5,6-tetramethylphenyl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 10978915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).