[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone

C17H11NO4 — CID 168528552

IUPAC[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-c1ccco1
InChIInChI=1S/C17H11NO4/c19-17(12-5-2-1-3-6-12)15-11-13(18(20)21)8-9-14(15)16-7-4-10-22-16/h1-11H
InChIKeyCOERCHWYBMMMDL-UHFFFAOYSA-N
MW293.28 g/mol
LogP4.09
Rot. Bonds4

About [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone

[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone (PubChem CID 168528552) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
PubChem CID168528552
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-c1ccco1
InChIInChI=1S/C17H11NO4/c19-17(12-5-2-1-3-6-12)15-11-13(18(20)21)8-9-14(15)16-7-4-10-22-16/h1-11H
InChIKeyCOERCHWYBMMMDL-UHFFFAOYSA-N
XLogP4.09
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
bis(2-benzoyl-5-nitrobenzaldehyde);oxalic acid
CID 174955063
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264
N-(2-benzoyl-4-nitrophenyl)-N-bromoacetamide
CID 154294661
[5-bromo-2-(furan-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 168527954
(4-chlorophenyl)-[2-(furan-2-yl)phenyl]methanone
CID 168524484
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
[2-(cyclohexylamino)-5-nitrophenyl]-phenylmethanone
CID 624667
methyl 2-(2-benzoyl-4-nitrophenyl)acetate
CID 58437932
(2-cyclohexyl-4-nitrophenyl)-phenylmethanone
CID 151612232

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone?
The IUPAC name of [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone (CID 168528552) is [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone?
The canonical SMILES for [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone is O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-c1ccco1.
What is the InChIKey of [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone?
The InChIKey is COERCHWYBMMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-17(12-5-2-1-3-6-12)15-11-13(18(20)21)8-9-14(15)16-7-4-10-22-16/h1-11H.
What are the key properties of [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone?
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone has a molecular weight of 293.28 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone is sourced from PubChem (CID 168528552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).