3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one

C24H17NO4 — CID 4736068

IUPAC3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one
SMILESCc1ccc(-c2ccc(C=CC(=O)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17NO4/c1-16-9-12-21(22(15-16)25(27)28)24-14-11-18(29-24)10-13-23(26)20-8-4-6-17-5-2-3-7-19(17)20/h2-15H,1H3
InChIKeyDXHHTDLNFOOVPS-UHFFFAOYSA-N
MW383.40 g/mol
LogP6.21
Rot. Bonds5

About 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one

3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 4736068) has the molecular formula C24H17NO4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID4736068
Molecular FormulaC24H17NO4
Molecular Weight383.40 g/mol
Exact Mass383.12
IUPAC Name3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one
SMILESCc1ccc(-c2ccc(C=CC(=O)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17NO4/c1-16-9-12-21(22(15-16)25(27)28)24-14-11-18(29-24)10-13-23(26)20-8-4-6-17-5-2-3-7-19(17)20/h2-15H,1H3
InChIKeyDXHHTDLNFOOVPS-UHFFFAOYSA-N
XLogP6.21
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 56.21
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-[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]indole-3-carbonitrile
CID 91689565
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 124662764
N-[3-[3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736077
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-(2-methylphenyl)prop-2-en-1-one
CID 18209513
2-hydroxy-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686416
6-methyl-2-[2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
CID 4736351
3-methyl-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686408
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19561002
ethyl 2-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-3-carboxylate
CID 23745523
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one (CID 4736068) is 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one is Cc1ccc(-c2ccc(C=CC(=O)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is DXHHTDLNFOOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO4/c1-16-9-12-21(22(15-16)25(27)28)24-14-11-18(29-24)10-13-23(26)20-8-4-6-17-5-2-3-7-19(17)20/h2-15H,1H3.
What are the key properties of 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one?
3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 383.40 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 4736068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).