methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate

C18H14O4 — CID 70977330

IUPACmethyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C18H14O4/c1-21-17(19)15-14(12-8-4-2-5-9-12)16(22-18(15)20)13-10-6-3-7-11-13/h2-11,16H,1H3
InChIKeySAVIKDYUOXONAN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.91
Rot. Bonds3

About methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate

methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate (PubChem CID 70977330) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
PubChem CID70977330
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Namemethyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C18H14O4/c1-21-17(19)15-14(12-8-4-2-5-9-12)16(22-18(15)20)13-10-6-3-7-11-13/h2-11,16H,1H3
InChIKeySAVIKDYUOXONAN-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate?
The IUPAC name of methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate (CID 70977330) is methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate.
What is the SMILES notation for methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate?
The canonical SMILES for methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate is COC(=O)C1=C(c2ccccc2)C(c2ccccc2)OC1=O.
What is the InChIKey of methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate?
The InChIKey is SAVIKDYUOXONAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-21-17(19)15-14(12-8-4-2-5-9-12)16(22-18(15)20)13-10-6-3-7-11-13/h2-11,16H,1H3.
What are the key properties of methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate?
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate is sourced from PubChem (CID 70977330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).