(4-benzoylphenyl) 2-methylfuran-3-carboxylate

C19H14O4 — CID 9115841

IUPAC(4-benzoylphenyl) 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14O4/c1-13-17(11-12-22-13)19(21)23-16-9-7-15(8-10-16)18(20)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyVAYNBZMVNPPRAX-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.04
Rot. Bonds4

About (4-benzoylphenyl) 2-methylfuran-3-carboxylate

(4-benzoylphenyl) 2-methylfuran-3-carboxylate (PubChem CID 9115841) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-methylfuran-3-carboxylate
PubChem CID9115841
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name(4-benzoylphenyl) 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14O4/c1-13-17(11-12-22-13)19(21)23-16-9-7-15(8-10-16)18(20)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyVAYNBZMVNPPRAX-UHFFFAOYSA-N
XLogP4.04
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 2-methylfuran-3-carboxylate
CID 18206101
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
(4-benzoylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 4240188
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
iodo 2-methylfuran-3-carboxylate
CID 126570406
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
diphenyl 2-benzoylbenzene-1,4-dicarboxylate
CID 71318917
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
formaldehyde;(4-methylphenyl) benzoate
CID 143467602

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-methylfuran-3-carboxylate?
The IUPAC name of (4-benzoylphenyl) 2-methylfuran-3-carboxylate (CID 9115841) is (4-benzoylphenyl) 2-methylfuran-3-carboxylate.
What is the SMILES notation for (4-benzoylphenyl) 2-methylfuran-3-carboxylate?
The canonical SMILES for (4-benzoylphenyl) 2-methylfuran-3-carboxylate is Cc1occc1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-methylfuran-3-carboxylate?
The InChIKey is VAYNBZMVNPPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-13-17(11-12-22-13)19(21)23-16-9-7-15(8-10-16)18(20)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of (4-benzoylphenyl) 2-methylfuran-3-carboxylate?
(4-benzoylphenyl) 2-methylfuran-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-methylfuran-3-carboxylate is sourced from PubChem (CID 9115841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).