CID 12592524

C20H16O2 — CID 12592524

IUPAC—
SMILESCC1C2(Cc3ccccc3C2)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H16O2/c1-12-19(10-13-6-2-3-7-14(13)11-19)20(12)17(21)15-8-4-5-9-16(15)18(20)22/h2-9,12H,10-11H2,1H3
InChIKeyWKYZCQCXIZTNCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.49
Rot. Bonds

About CID 12592524

CID 12592524 (PubChem CID 12592524) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol.

Molecular Properties

Compound NameCID 12592524
PubChem CID12592524
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name—
SMILESCC1C2(Cc3ccccc3C2)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H16O2/c1-12-19(10-13-6-2-3-7-14(13)11-19)20(12)17(21)15-8-4-5-9-16(15)18(20)22/h2-9,12H,10-11H2,1H3
InChIKeyWKYZCQCXIZTNCG-UHFFFAOYSA-N
XLogP3.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 12592524?
The IUPAC name of CID 12592524 (CID 12592524) is not available.
What is the SMILES notation for CID 12592524?
The canonical SMILES for CID 12592524 is CC1C2(Cc3ccccc3C2)C12C(=O)c1ccccc1C2=O.
What is the InChIKey of CID 12592524?
The InChIKey is WKYZCQCXIZTNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-12-19(10-13-6-2-3-7-14(13)11-19)20(12)17(21)15-8-4-5-9-16(15)18(20)22/h2-9,12H,10-11H2,1H3.
What are the key properties of CID 12592524?
CID 12592524 has a molecular weight of 288.35 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12592524 is sourced from PubChem (CID 12592524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).