CID 132937020

C23H16O5 — CID 132937020

IUPAC—
SMILESO=C1CCC(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C23H16O5/c24-18-11-12-19(25)22(18)21(26)14-7-1-2-8-15(14)23(22)27-16-9-3-5-13-6-4-10-17(28-23)20(13)16/h1-10,21,26H,11-12H2
InChIKeyNYJFRTIDCTWEKB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.43
Rot. Bonds

About CID 132937020

CID 132937020 (PubChem CID 132937020) has the molecular formula C23H16O5 and a molecular weight of 372.38 g/mol.

Molecular Properties

Compound NameCID 132937020
PubChem CID132937020
Molecular FormulaC23H16O5
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name—
SMILESO=C1CCC(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C23H16O5/c24-18-11-12-19(25)22(18)21(26)14-7-1-2-8-15(14)23(22)27-16-9-3-5-13-6-4-10-17(28-23)20(13)16/h1-10,21,26H,11-12H2
InChIKeyNYJFRTIDCTWEKB-UHFFFAOYSA-N
XLogP3.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 CID 132937020?
The IUPAC name of CID 132937020 (CID 132937020) is not available.
What is the SMILES notation for CID 132937020?
The canonical SMILES for CID 132937020 is O=C1CCC(=O)C12C(O)c1ccccc1C21Oc2cccc3cccc(c23)O1.
What is the InChIKey of CID 132937020?
The InChIKey is NYJFRTIDCTWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O5/c24-18-11-12-19(25)22(18)21(26)14-7-1-2-8-15(14)23(22)27-16-9-3-5-13-6-4-10-17(28-23)20(13)16/h1-10,21,26H,11-12H2.
What are the key properties of CID 132937020?
CID 132937020 has a molecular weight of 372.38 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132937020 is sourced from PubChem (CID 132937020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).