2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione

C19H16O3 — CID 10424428

IUPAC2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione
SMILESCC1(O)C(=O)C=CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H16O3/c1-18(22)16(20)12-13-19(17(18)21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,22H,1H3
InChIKeyTZEBIGFRRAUVEA-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.43
Rot. Bonds2

About 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione

2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione (PubChem CID 10424428) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione
PubChem CID10424428
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione
SMILESCC1(O)C(=O)C=CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H16O3/c1-18(22)16(20)12-13-19(17(18)21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,22H,1H3
InChIKeyTZEBIGFRRAUVEA-UHFFFAOYSA-N
XLogP2.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione?
The IUPAC name of 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione (CID 10424428) is 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione is CC1(O)C(=O)C=CC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione?
The InChIKey is TZEBIGFRRAUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-18(22)16(20)12-13-19(17(18)21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,22H,1H3.
What are the key properties of 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione?
2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione has a molecular weight of 292.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-6,6-diphenylcyclohex-4-ene-1,3-dione is sourced from PubChem (CID 10424428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).