CID 24755088

C22H21BO2P — CID 24755088

IUPAC—
SMILESCc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1.[B]
InChIInChI=1S/C22H21O2P.B/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18;/h4-15H,1-3H3;
InChIKeyZKDBYLSAYYHBKU-UHFFFAOYSA-N
MW359.19 g/mol
LogP4.20
Rot. Bonds4

About CID 24755088

CID 24755088 (PubChem CID 24755088) has the molecular formula C22H21BO2P and a molecular weight of 359.19 g/mol.

Molecular Properties

Compound NameCID 24755088
PubChem CID24755088
Molecular FormulaC22H21BO2P
Molecular Weight359.19 g/mol
Exact Mass359.14
IUPAC Name—
SMILESCc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1.[B]
InChIInChI=1S/C22H21O2P.B/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18;/h4-15H,1-3H3;
InChIKeyZKDBYLSAYYHBKU-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 24755088 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 24755088?
The IUPAC name of CID 24755088 (CID 24755088) is not available.
What is the SMILES notation for CID 24755088?
The canonical SMILES for CID 24755088 is Cc1cccc(C)c1OC(=O)c1ccccc1P(C)c1ccccc1.[B].
What is the InChIKey of CID 24755088?
The InChIKey is ZKDBYLSAYYHBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O2P.B/c1-16-10-9-11-17(2)21(16)24-22(23)19-14-7-8-15-20(19)25(3)18-12-5-4-6-13-18;/h4-15H,1-3H3;.
What are the key properties of CID 24755088?
CID 24755088 has a molecular weight of 359.19 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24755088 is sourced from PubChem (CID 24755088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).