CID 122398386

C20H13O2 — CID 122398386

IUPAC—
SMILESO=C1C=C[C](c2c3ccccc3cc3ccccc23)C=C1O
InChIInChI=1S/C20H13O2/c21-18-10-9-15(12-19(18)22)20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-12,22H
InChIKeyPYQAEPUULKEKRN-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.50
Rot. Bonds1

About CID 122398386

CID 122398386 (PubChem CID 122398386) has the molecular formula C20H13O2 and a molecular weight of 285.32 g/mol.

Molecular Properties

Compound NameCID 122398386
PubChem CID122398386
Molecular FormulaC20H13O2
Molecular Weight285.32 g/mol
Exact Mass285.09
IUPAC Name—
SMILESO=C1C=C[C](c2c3ccccc3cc3ccccc23)C=C1O
InChIInChI=1S/C20H13O2/c21-18-10-9-15(12-19(18)22)20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-12,22H
InChIKeyPYQAEPUULKEKRN-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 122398386?
The IUPAC name of CID 122398386 (CID 122398386) is not available.
What is the SMILES notation for CID 122398386?
The canonical SMILES for CID 122398386 is O=C1C=C[C](c2c3ccccc3cc3ccccc23)C=C1O.
What is the InChIKey of CID 122398386?
The InChIKey is PYQAEPUULKEKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13O2/c21-18-10-9-15(12-19(18)22)20-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20/h1-12,22H.
What are the key properties of CID 122398386?
CID 122398386 has a molecular weight of 285.32 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122398386 is sourced from PubChem (CID 122398386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).