1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione

C20H22O3 — CID 18520311

IUPAC1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione
SMILESCCc1c(O)cc(C(=O)C(=O)c2ccccc2)c(CC)c1CC
InChIInChI=1S/C20H22O3/c1-4-14-15(5-2)17(12-18(21)16(14)6-3)20(23)19(22)13-10-8-7-9-11-13/h7-12,21H,4-6H2,1-3H3
InChIKeyCUEUGQGTOSFPOX-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.14
Rot. Bonds6

About 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione

1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione (PubChem CID 18520311) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione
PubChem CID18520311
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione
SMILESCCc1c(O)cc(C(=O)C(=O)c2ccccc2)c(CC)c1CC
InChIInChI=1S/C20H22O3/c1-4-14-15(5-2)17(12-18(21)16(14)6-3)20(23)19(22)13-10-8-7-9-11-13/h7-12,21H,4-6H2,1-3H3
InChIKeyCUEUGQGTOSFPOX-UHFFFAOYSA-N
XLogP4.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.14
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'}

Analyze 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1-phenyl-2-(2,3,4-triethylphenyl)ethane-1,2-dione;hydrobromide
CID 174431283
azane;1-(2-ethenyl-3,4,5-triethylphenyl)-2-phenylethane-1,2-dione;hydrochloride
CID 173216030
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
CID 11995674
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
2-ethyl-5-(2-phenylethynyl)benzene-1,3-diol
CID 122603261
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione (CID 18520311) is 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione is CCc1c(O)cc(C(=O)C(=O)c2ccccc2)c(CC)c1CC.
What is the InChIKey of 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione?
The InChIKey is CUEUGQGTOSFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-14-15(5-2)17(12-18(21)16(14)6-3)20(23)19(22)13-10-8-7-9-11-13/h7-12,21H,4-6H2,1-3H3.
What are the key properties of 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione?
1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione has a molecular weight of 310.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,3,4-triethyl-5-hydroxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 18520311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).