(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

C20H15NO5 — CID 7947265

IUPAC(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C20H15NO5/c1-25-18-4-2-3-15(13-18)19(22)11-9-17-10-12-20(26-17)14-5-7-16(8-6-14)21(23)24/h2-13H,1H3/b11-9+
InChIKeyXQZRVRUNRPZBNF-PKNBQFBNSA-N
MW349.34 g/mol
LogP4.76
Rot. Bonds6

About (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one (PubChem CID 7947265) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
PubChem CID7947265
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1
InChIInChI=1S/C20H15NO5/c1-25-18-4-2-3-15(13-18)19(22)11-9-17-10-12-20(26-17)14-5-7-16(8-6-14)21(23)24/h2-13H,1H3/b11-9+
InChIKeyXQZRVRUNRPZBNF-PKNBQFBNSA-N
XLogP4.76
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(E)-1-(4-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5340118
(E)-1-(3-methoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 6526896
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
2-[2-methoxy-4-[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenoxy]acetic acid
CID 16959797
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
1-(3,4-dimethoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 2914905
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
1-(3-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5105383
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736046
(E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19558979
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19561002
methyl 5-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]furan-2-carboxylate
CID 51103380

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one (CID 7947265) is (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is COc1cccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The InChIKey is XQZRVRUNRPZBNF-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H15NO5/c1-25-18-4-2-3-15(13-18)19(22)11-9-17-10-12-20(26-17)14-5-7-16(8-6-14)21(23)24/h2-13H,1H3/b11-9+.
What are the key properties of (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 349.34 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 7947265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).