2-methylpropyl (2-phenylphenyl) carbonate

C17H18O3 — CID 6429240

IUPAC2-methylpropyl (2-phenylphenyl) carbonate
SMILESCC(C)COC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H18O3/c1-13(2)12-19-17(18)20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyQWFZNDGQWHEJIV-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.53
Rot. Bonds4

About 2-methylpropyl (2-phenylphenyl) carbonate

2-methylpropyl (2-phenylphenyl) carbonate (PubChem CID 6429240) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methylpropyl (2-phenylphenyl) carbonate.

Molecular Properties

Compound Name2-methylpropyl (2-phenylphenyl) carbonate
PubChem CID6429240
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-methylpropyl (2-phenylphenyl) carbonate
SMILESCC(C)COC(=O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H18O3/c1-13(2)12-19-17(18)20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyQWFZNDGQWHEJIV-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.53
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 2-methylpropyl (2-phenylphenyl) carbonate?
The IUPAC name of 2-methylpropyl (2-phenylphenyl) carbonate (CID 6429240) is 2-methylpropyl (2-phenylphenyl) carbonate.
What is the SMILES notation for 2-methylpropyl (2-phenylphenyl) carbonate?
The canonical SMILES for 2-methylpropyl (2-phenylphenyl) carbonate is CC(C)COC(=O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methylpropyl (2-phenylphenyl) carbonate?
The InChIKey is QWFZNDGQWHEJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(2)12-19-17(18)20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-methylpropyl (2-phenylphenyl) carbonate?
2-methylpropyl (2-phenylphenyl) carbonate has a molecular weight of 270.33 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2-phenylphenyl) carbonate is sourced from PubChem (CID 6429240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).