CID 70014538

C19H22ClLiO2P — CID 70014538

IUPAC—
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OCCC(C)C)cc1.[Li]
InChIInChI=1S/C19H22ClO2P.Li/c1-13(2)11-12-22-15-7-9-16(10-8-15)23-19(21)18-14(3)5-4-6-17(18)20;/h4-10,13,23H,11-12H2,1-3H3;
InChIKeyCUEANPNZONMGHZ-UHFFFAOYSA-N
MW355.75 g/mol
LogP4.84
Rot. Bonds7

About CID 70014538

CID 70014538 (PubChem CID 70014538) has the molecular formula C19H22ClLiO2P and a molecular weight of 355.75 g/mol.

Molecular Properties

Compound NameCID 70014538
PubChem CID70014538
Molecular FormulaC19H22ClLiO2P
Molecular Weight355.75 g/mol
Exact Mass355.12
IUPAC Name—
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OCCC(C)C)cc1.[Li]
InChIInChI=1S/C19H22ClO2P.Li/c1-13(2)11-12-22-15-7-9-16(10-8-15)23-19(21)18-14(3)5-4-6-17(18)20;/h4-10,13,23H,11-12H2,1-3H3;
InChIKeyCUEANPNZONMGHZ-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70014538?
The IUPAC name of CID 70014538 (CID 70014538) is not available.
What is the SMILES notation for CID 70014538?
The canonical SMILES for CID 70014538 is Cc1cccc(Cl)c1C(=O)Pc1ccc(OCCC(C)C)cc1.[Li].
What is the InChIKey of CID 70014538?
The InChIKey is CUEANPNZONMGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClO2P.Li/c1-13(2)11-12-22-15-7-9-16(10-8-15)23-19(21)18-14(3)5-4-6-17(18)20;/h4-10,13,23H,11-12H2,1-3H3;.
What are the key properties of CID 70014538?
CID 70014538 has a molecular weight of 355.75 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014538 is sourced from PubChem (CID 70014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).