phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone

C19H20O3 — CID 67914032

IUPACphenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
SMILESCC(C)C1OC(C(=O)c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C19H20O3/c1-13(2)19-21-17(15-11-7-4-8-12-15)18(22-19)16(20)14-9-5-3-6-10-14/h3-13,17-19H,1-2H3
InChIKeyOTNBJWIHFFBVKF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.01
Rot. Bonds4

About phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone

phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone (PubChem CID 67914032) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
PubChem CID67914032
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namephenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
SMILESCC(C)C1OC(C(=O)c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C19H20O3/c1-13(2)19-21-17(15-11-7-4-8-12-15)18(22-19)16(20)14-9-5-3-6-10-14/h3-13,17-19H,1-2H3
InChIKeyOTNBJWIHFFBVKF-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone?
The IUPAC name of phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone (CID 67914032) is phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone.
What is the SMILES notation for phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone?
The canonical SMILES for phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone is CC(C)C1OC(C(=O)c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone?
The InChIKey is OTNBJWIHFFBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(2)19-21-17(15-11-7-4-8-12-15)18(22-19)16(20)14-9-5-3-6-10-14/h3-13,17-19H,1-2H3.
What are the key properties of phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone?
phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone is sourced from PubChem (CID 67914032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).