1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione

C20H22O2 — CID 67945637

IUPAC1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
SMILESCC(C)c1ccccc1C(=O)C(=O)c1ccccc1C(C)C
InChIInChI=1S/C20H22O2/c1-13(2)15-9-5-7-11-17(15)19(21)20(22)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3
InChIKeyCRZZUCZLIPAWIB-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.00
Rot. Bonds5

About 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione

1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione (PubChem CID 67945637) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
PubChem CID67945637
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
SMILESCC(C)c1ccccc1C(=O)C(=O)c1ccccc1C(C)C
InChIInChI=1S/C20H22O2/c1-13(2)15-9-5-7-11-17(15)19(21)20(22)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3
InChIKeyCRZZUCZLIPAWIB-UHFFFAOYSA-N
XLogP5.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
N,2-di(propan-2-yl)benzamide
CID 14972595
N-tert-butyl-2-propan-2-ylbenzohydrazide
CID 173295055
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
1,2-bis(4-hydroxy-2-propan-2-ylphenyl)ethane-1,2-dione
CID 21279175
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
CID 147553319
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cumene;oxo-bis(2-propan-2-ylbenzoyl)phosphanium
CID 175171362
(2-methyl-3-propan-2-ylphenyl)-phenylmethanone
CID 123852812
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione (CID 67945637) is 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione is CC(C)c1ccccc1C(=O)C(=O)c1ccccc1C(C)C.
What is the InChIKey of 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione?
The InChIKey is CRZZUCZLIPAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-13(2)15-9-5-7-11-17(15)19(21)20(22)18-12-8-6-10-16(18)14(3)4/h5-14H,1-4H3.
What are the key properties of 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione?
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione has a molecular weight of 294.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione is sourced from PubChem (CID 67945637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).