CID 25180409

C21H20OP — CID 25180409

IUPAC—
SMILESCC(C)[C]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[C]1C=O
InChIInChI=1S/C21H20OP/c1-16(2)19-13-14-21(20(19)15-22)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyRKJMHQCQHLUJEK-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.08
Rot. Bonds5

About CID 25180409

CID 25180409 (PubChem CID 25180409) has the molecular formula C21H20OP and a molecular weight of 319.36 g/mol.

Molecular Properties

Compound NameCID 25180409
PubChem CID25180409
Molecular FormulaC21H20OP
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name—
SMILESCC(C)[C]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[C]1C=O
InChIInChI=1S/C21H20OP/c1-16(2)19-13-14-21(20(19)15-22)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyRKJMHQCQHLUJEK-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 25180409 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11528005
CID 11528005
CID 10942070
CID 10942070
CID 11051045
CID 11051045
CID 135774007
CID 135774007
CID 10168867
CID 10168867
CID 134899870
CID 134899870
2-diphenylphosphanyl-4-propan-2-ylbenzaldehyde;methoxymethane
CID 167444020
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
ethane;triphenylphosphane
CID 90942156
silver;tris(triphenylphosphane);iodide
CID 170458282
copper;triphenylphosphane;diiodide
CID 175718696
CID 11375638
CID 11375638

Frequently Asked Questions

What is the IUPAC name of CID 25180409?
The IUPAC name of CID 25180409 (CID 25180409) is not available.
What is the SMILES notation for CID 25180409?
The canonical SMILES for CID 25180409 is CC(C)[C]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[C]1C=O.
What is the InChIKey of CID 25180409?
The InChIKey is RKJMHQCQHLUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20OP/c1-16(2)19-13-14-21(20(19)15-22)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of CID 25180409?
CID 25180409 has a molecular weight of 319.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25180409 is sourced from PubChem (CID 25180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).