(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate

C19H15NO6 — CID 7893053

IUPAC(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H15NO6/c21-19(25-12-14-6-8-15(9-7-14)20(22)23)18-11-10-17(26-18)13-24-16-4-2-1-3-5-16/h1-11H,12-13H2
InChIKeyISQDFPHMOPCFJG-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.12
Rot. Bonds7

About (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate

(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7893053) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7893053
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H15NO6/c21-19(25-12-14-6-8-15(9-7-14)20(22)23)18-11-10-17(26-18)13-24-16-4-2-1-3-5-16/h1-11H,12-13H2
InChIKeyISQDFPHMOPCFJG-UHFFFAOYSA-N
XLogP4.12
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-(phenoxymethyl)furan-2-carboxylate
CID 46825417
(4-nitrophenyl)methyl furan-2-carboxylate
CID 930641
(4-nitrophenyl)methyl 4-phenylbenzoate
CID 2418222
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
benzyl 5-nitro-1-benzofuran-2-carboxylate
CID 77230405
(4-nitrophenyl)methyl 4-[(4-bromophenoxy)methyl]benzoate
CID 126184969
(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate
CID 34373631
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
(4-nitrophenyl)methyl naphthalene-2-carboxylate
CID 2507538

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate (CID 7893053) is (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate is O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2)o1.
What is the InChIKey of (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is ISQDFPHMOPCFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c21-19(25-12-14-6-8-15(9-7-14)20(22)23)18-11-10-17(26-18)13-24-16-4-2-1-3-5-16/h1-11H,12-13H2.
What are the key properties of (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 353.33 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).