2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione

C24H18O3 — CID 124578457

IUPAC2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione
SMILESCc1cccc(C(=O)[C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H18O3/c1-15-8-7-11-17(14-15)22(25)20(16-9-3-2-4-10-16)21-23(26)18-12-5-6-13-19(18)24(21)27/h2-14,20-21H,1H3/t20-/m0/s1
InChIKeyDFRFKBCRXDKLCU-FQEVSTJZSA-N
MW354.41 g/mol
LogP4.66
Rot. Bonds4

About 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione

2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione (PubChem CID 124578457) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione
PubChem CID124578457
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione
SMILESCc1cccc(C(=O)[C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H18O3/c1-15-8-7-11-17(14-15)22(25)20(16-9-3-2-4-10-16)21-23(26)18-12-5-6-13-19(18)24(21)27/h2-14,20-21H,1H3/t20-/m0/s1
InChIKeyDFRFKBCRXDKLCU-FQEVSTJZSA-N
XLogP4.66
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione?
The IUPAC name of 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione (CID 124578457) is 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione.
What is the SMILES notation for 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione?
The canonical SMILES for 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione is Cc1cccc(C(=O)[C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione?
The InChIKey is DFRFKBCRXDKLCU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18O3/c1-15-8-7-11-17(14-15)22(25)20(16-9-3-2-4-10-16)21-23(26)18-12-5-6-13-19(18)24(21)27/h2-14,20-21H,1H3/t20-/m0/s1.
What are the key properties of 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione?
2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione has a molecular weight of 354.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(3-methylphenyl)-2-oxo-1-phenylethyl]indene-1,3-dione is sourced from PubChem (CID 124578457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).