3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one

C19H14NO4- — CID 163171437

IUPAC3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(N([O-])O)c2)o1)c1ccccc1
InChIInChI=1S/C19H14NO4/c21-18(14-5-2-1-3-6-14)11-9-17-10-12-19(24-17)15-7-4-8-16(13-15)20(22)23/h1-13,22H/q-1
InChIKeyVIRDKIAXOLTONE-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.54
Rot. Bonds5

About 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one

3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one (PubChem CID 163171437) has the molecular formula C19H14NO4- and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
PubChem CID163171437
Molecular FormulaC19H14NO4-
Molecular Weight320.32 g/mol
Exact Mass320.09
IUPAC Name3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2cccc(N([O-])O)c2)o1)c1ccccc1
InChIInChI=1S/C19H14NO4/c21-18(14-5-2-1-3-6-14)11-9-17-10-12-19(24-17)15-7-4-8-16(13-15)20(22)23/h1-13,22H/q-1
InChIKeyVIRDKIAXOLTONE-UHFFFAOYSA-N
XLogP4.54
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
ethyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50887305
benzyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50885793
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736275
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736164
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
(E)-3-[5-(3-methoxycarbonylphenyl)furan-2-yl]prop-2-enoic acid
CID 17274123
1-(furan-2-yl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 2753271
(E)-1-(4-ethylphenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
CID 6287121
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one (CID 163171437) is 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one is O=C(C=Cc1ccc(-c2cccc(N([O-])O)c2)o1)c1ccccc1.
What is the InChIKey of 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one?
The InChIKey is VIRDKIAXOLTONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO4/c21-18(14-5-2-1-3-6-14)11-9-17-10-12-19(24-17)15-7-4-8-16(13-15)20(22)23/h1-13,22H/q-1.
What are the key properties of 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one?
3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one has a molecular weight of 320.32 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 163171437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).