methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate

C19H18O4 — CID 57397863

IUPACmethyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC(=O)OC1c1ccccc1
InChIInChI=1S/C19H18O4/c1-22-18(21)19(12-14-8-4-2-5-9-14)13-16(20)23-17(19)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyUPUZVXGBHBLVLR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.08
Rot. Bonds4

About methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate

methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate (PubChem CID 57397863) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate
PubChem CID57397863
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC(=O)OC1c1ccccc1
InChIInChI=1S/C19H18O4/c1-22-18(21)19(12-14-8-4-2-5-9-14)13-16(20)23-17(19)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyUPUZVXGBHBLVLR-UHFFFAOYSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate?
The IUPAC name of methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate (CID 57397863) is methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate?
The canonical SMILES for methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate is COC(=O)C1(Cc2ccccc2)CC(=O)OC1c1ccccc1.
What is the InChIKey of methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate?
The InChIKey is UPUZVXGBHBLVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-18(21)19(12-14-8-4-2-5-9-14)13-16(20)23-17(19)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3.
What are the key properties of methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate?
methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-5-oxo-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 57397863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).