1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one

C19H13NO4 — CID 4213357

IUPAC1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13NO4/c21-18(15-7-4-8-16(13-15)20(22)23)11-9-17-10-12-19(24-17)14-5-2-1-3-6-14/h1-13H
InChIKeyMVIFREUIARRRGQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one

1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one (PubChem CID 4213357) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
PubChem CID4213357
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H13NO4/c21-18(15-7-4-8-16(13-15)20(22)23)11-9-17-10-12-19(24-17)14-5-2-1-3-6-14/h1-13H
InChIKeyMVIFREUIARRRGQ-UHFFFAOYSA-N
XLogP4.75
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 2914905
(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 7947265
3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
CID 4736214
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
CID 163171437
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5021020
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 6270175
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736046
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19561002
(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 45051358
(E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19558979

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one (CID 4213357) is 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one is O=C(C=Cc1ccc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one?
The InChIKey is MVIFREUIARRRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(15-7-4-8-16(13-15)20(22)23)11-9-17-10-12-19(24-17)14-5-2-1-3-6-14/h1-13H.
What are the key properties of 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one?
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one has a molecular weight of 319.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one is sourced from PubChem (CID 4213357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).