phenyl 1-(4-phenylphenyl)propan-2-yl carbonate

C22H20O3 — CID 10892928

IUPACphenyl 1-(4-phenylphenyl)propan-2-yl carbonate
SMILESCC(Cc1ccc(-c2ccccc2)cc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C22H20O3/c1-17(24-22(23)25-21-10-6-3-7-11-21)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,17H,16H2,1H3
InChIKeyOWIBMKVPLQLVER-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.50
Rot. Bonds5

About phenyl 1-(4-phenylphenyl)propan-2-yl carbonate

phenyl 1-(4-phenylphenyl)propan-2-yl carbonate (PubChem CID 10892928) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is phenyl 1-(4-phenylphenyl)propan-2-yl carbonate.

Molecular Properties

Compound Namephenyl 1-(4-phenylphenyl)propan-2-yl carbonate
PubChem CID10892928
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Namephenyl 1-(4-phenylphenyl)propan-2-yl carbonate
SMILESCC(Cc1ccc(-c2ccccc2)cc1)OC(=O)Oc1ccccc1
InChIInChI=1S/C22H20O3/c1-17(24-22(23)25-21-10-6-3-7-11-21)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,17H,16H2,1H3
InChIKeyOWIBMKVPLQLVER-UHFFFAOYSA-N
XLogP5.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl 1-(4-phenylphenyl)propan-2-yl carbonate 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 phenyl 1-(4-phenylphenyl)propan-2-yl carbonate?
The IUPAC name of phenyl 1-(4-phenylphenyl)propan-2-yl carbonate (CID 10892928) is phenyl 1-(4-phenylphenyl)propan-2-yl carbonate.
What is the SMILES notation for phenyl 1-(4-phenylphenyl)propan-2-yl carbonate?
The canonical SMILES for phenyl 1-(4-phenylphenyl)propan-2-yl carbonate is CC(Cc1ccc(-c2ccccc2)cc1)OC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 1-(4-phenylphenyl)propan-2-yl carbonate?
The InChIKey is OWIBMKVPLQLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-17(24-22(23)25-21-10-6-3-7-11-21)16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15,17H,16H2,1H3.
What are the key properties of phenyl 1-(4-phenylphenyl)propan-2-yl carbonate?
phenyl 1-(4-phenylphenyl)propan-2-yl carbonate has a molecular weight of 332.40 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-(4-phenylphenyl)propan-2-yl carbonate is sourced from PubChem (CID 10892928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).