7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one

C18H15NO4 — CID 5416833

IUPAC7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
SMILESC/C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)=N\O
InChIInChI=1S/C18H15NO4/c1-12(19-21)11-22-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)23-17(15)9-14/h2-10,21H,11H2,1H3/b19-12+
InChIKeySTLQCBSQLMMPHI-XDHOZWIPSA-N
MW309.32 g/mol
LogP3.69
Rot. Bonds4

About 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one

7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one (PubChem CID 5416833) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
PubChem CID5416833
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one
SMILESC/C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)=N\O
InChIInChI=1S/C18H15NO4/c1-12(19-21)11-22-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)23-17(15)9-14/h2-10,21H,11H2,1H3/b19-12+
InChIKeySTLQCBSQLMMPHI-XDHOZWIPSA-N
XLogP3.69
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
CID 6371350
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
7-ethoxy-4-phenylchromen-2-one
CID 678937
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 7420701
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
7-[(2R)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325271

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one (CID 5416833) is 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one is C/C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)=N\O.
What is the InChIKey of 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one?
The InChIKey is STLQCBSQLMMPHI-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12(19-21)11-22-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)23-17(15)9-14/h2-10,21H,11H2,1H3/b19-12+.
What are the key properties of 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one?
7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one has a molecular weight of 309.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-hydroxyiminopropoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 5416833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).