(2-phenylphenyl) prop-2-enyl carbonate

C16H14O3 — CID 67923236

IUPAC(2-phenylphenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O3/c1-2-12-18-16(17)19-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyORHHFGAUTYXEMC-UHFFFAOYSA-N
MW254.28 g/mol
LogP4.05
Rot. Bonds4

About (2-phenylphenyl) prop-2-enyl carbonate

(2-phenylphenyl) prop-2-enyl carbonate (PubChem CID 67923236) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2-phenylphenyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-phenylphenyl) prop-2-enyl carbonate
PubChem CID67923236
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(2-phenylphenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C16H14O3/c1-2-12-18-16(17)19-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyORHHFGAUTYXEMC-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-phenylphenyl) prop-2-enyl 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 (2-phenylphenyl) prop-2-enyl carbonate?
The IUPAC name of (2-phenylphenyl) prop-2-enyl carbonate (CID 67923236) is (2-phenylphenyl) prop-2-enyl carbonate.
What is the SMILES notation for (2-phenylphenyl) prop-2-enyl carbonate?
The canonical SMILES for (2-phenylphenyl) prop-2-enyl carbonate is C=CCOC(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl) prop-2-enyl carbonate?
The InChIKey is ORHHFGAUTYXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-12-18-16(17)19-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2-11H,1,12H2.
What are the key properties of (2-phenylphenyl) prop-2-enyl carbonate?
(2-phenylphenyl) prop-2-enyl carbonate has a molecular weight of 254.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) prop-2-enyl carbonate is sourced from PubChem (CID 67923236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).