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

C22H20O3 — CID 14039202

IUPACphenyl 2-(4-phenylphenyl)propan-2-yl carbonate
SMILESCC(C)(OC(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-22(2,25-21(23)24-20-11-7-4-8-12-20)19-15-13-18(14-16-19)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyMWVIINICFYNXLS-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.80
Rot. Bonds4

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

phenyl 2-(4-phenylphenyl)propan-2-yl carbonate (PubChem CID 14039202) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is phenyl 2-(4-phenylphenyl)propan-2-yl carbonate.

Molecular Properties

Compound Namephenyl 2-(4-phenylphenyl)propan-2-yl carbonate
PubChem CID14039202
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Namephenyl 2-(4-phenylphenyl)propan-2-yl carbonate
SMILESCC(C)(OC(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20O3/c1-22(2,25-21(23)24-20-11-7-4-8-12-20)19-15-13-18(14-16-19)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyMWVIINICFYNXLS-UHFFFAOYSA-N
XLogP5.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-phenylphenyl)propan-2-yl carbonate?
The IUPAC name of phenyl 2-(4-phenylphenyl)propan-2-yl carbonate (CID 14039202) is phenyl 2-(4-phenylphenyl)propan-2-yl carbonate.
What is the SMILES notation for phenyl 2-(4-phenylphenyl)propan-2-yl carbonate?
The canonical SMILES for phenyl 2-(4-phenylphenyl)propan-2-yl carbonate is CC(C)(OC(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of phenyl 2-(4-phenylphenyl)propan-2-yl carbonate?
The InChIKey is MWVIINICFYNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-22(2,25-21(23)24-20-11-7-4-8-12-20)19-15-13-18(14-16-19)17-9-5-3-6-10-17/h3-16H,1-2H3.
What are the key properties of phenyl 2-(4-phenylphenyl)propan-2-yl carbonate?
phenyl 2-(4-phenylphenyl)propan-2-yl carbonate has a molecular weight of 332.40 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-phenylphenyl)propan-2-yl carbonate is sourced from PubChem (CID 14039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).