CID 59911829

C15H12O2Rb — CID 59911829

IUPAC—
SMILESCC1C(=O)Oc2ccccc2-c2ccccc21.[Rb]
InChIInChI=1S/C15H12O2.Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17-15(10)16;/h2-10H,1H3;
InChIKeyDQHJBZZUKVNJJV-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.00
Rot. Bonds

About CID 59911829

CID 59911829 (PubChem CID 59911829) has the molecular formula C15H12O2Rb and a molecular weight of 309.73 g/mol.

Molecular Properties

Compound NameCID 59911829
PubChem CID59911829
Molecular FormulaC15H12O2Rb
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC Name—
SMILESCC1C(=O)Oc2ccccc2-c2ccccc21.[Rb]
InChIInChI=1S/C15H12O2.Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17-15(10)16;/h2-10H,1H3;
InChIKeyDQHJBZZUKVNJJV-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59911829?
The IUPAC name of CID 59911829 (CID 59911829) is not available.
What is the SMILES notation for CID 59911829?
The canonical SMILES for CID 59911829 is CC1C(=O)Oc2ccccc2-c2ccccc21.[Rb].
What is the InChIKey of CID 59911829?
The InChIKey is DQHJBZZUKVNJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)17-15(10)16;/h2-10H,1H3;.
What are the key properties of CID 59911829?
CID 59911829 has a molecular weight of 309.73 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59911829 is sourced from PubChem (CID 59911829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).