CID 24848745

C20H11O2+ — CID 24848745

IUPAC—
SMILESO[C@@H]1[CH+]c2cc3ccc4c5c(cc6ccc1c2c6c35)[C@@H]1O[C@H]41
InChIInChI=1S/C20H11O2/c21-14-7-10-5-8-2-4-12-18-13(20-19(12)22-20)6-9-1-3-11(14)15(10)16(9)17(8)18/h1-7,14,19-21H/q+1/t14-,19-,20+/m1/s1
InChIKeyIVTSHMUESFWJJD-XMCHAPAWSA-N
MW283.31 g/mol
LogP4.31
Rot. Bonds

About CID 24848745

CID 24848745 (PubChem CID 24848745) has the molecular formula C20H11O2+ and a molecular weight of 283.31 g/mol.

Molecular Properties

Compound NameCID 24848745
PubChem CID24848745
Molecular FormulaC20H11O2+
Molecular Weight283.31 g/mol
Exact Mass283.08
IUPAC Name—
SMILESO[C@@H]1[CH+]c2cc3ccc4c5c(cc6ccc1c2c6c35)[C@@H]1O[C@H]41
InChIInChI=1S/C20H11O2/c21-14-7-10-5-8-2-4-12-18-13(20-19(12)22-20)6-9-1-3-11(14)15(10)16(9)17(8)18/h1-7,14,19-21H/q+1/t14-,19-,20+/m1/s1
InChIKeyIVTSHMUESFWJJD-XMCHAPAWSA-N
XLogP4.31
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 24848745?
The IUPAC name of CID 24848745 (CID 24848745) is not available.
What is the SMILES notation for CID 24848745?
The canonical SMILES for CID 24848745 is O[C@@H]1[CH+]c2cc3ccc4c5c(cc6ccc1c2c6c35)[C@@H]1O[C@H]41.
What is the InChIKey of CID 24848745?
The InChIKey is IVTSHMUESFWJJD-XMCHAPAWSA-N. The full InChI is InChI=1S/C20H11O2/c21-14-7-10-5-8-2-4-12-18-13(20-19(12)22-20)6-9-1-3-11(14)15(10)16(9)17(8)18/h1-7,14,19-21H/q+1/t14-,19-,20+/m1/s1.
What are the key properties of CID 24848745?
CID 24848745 has a molecular weight of 283.31 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24848745 is sourced from PubChem (CID 24848745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).