7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one

C23H17NO4 — CID 6371350

IUPAC7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OC/C(=N/O)c3ccccc3)cc2o1
InChIInChI=1S/C23H17NO4/c25-23-14-20(16-7-3-1-4-8-16)19-12-11-18(13-22(19)28-23)27-15-21(24-26)17-9-5-2-6-10-17/h1-14,26H,15H2/b24-21-
InChIKeyPJEKACSXNQJEAT-FLFQWRMESA-N
MW371.39 g/mol
LogP4.72
Rot. Bonds5

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

7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one (PubChem CID 6371350) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
PubChem CID6371350
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OC/C(=N/O)c3ccccc3)cc2o1
InChIInChI=1S/C23H17NO4/c25-23-14-20(16-7-3-1-4-8-16)19-12-11-18(13-22(19)28-23)27-15-21(24-26)17-9-5-2-6-10-17/h1-14,26H,15H2/b24-21-
InChIKeyPJEKACSXNQJEAT-FLFQWRMESA-N
XLogP4.72
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.72
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-hydroxyiminopropoxy]-4-phenylchromen-2-one
CID 5416833
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
(2-hydroxyimino-2-phenylethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 3132124
7-ethoxy-4-phenylchromen-2-one
CID 678937
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
4-[(2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acid
CID 989087
(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
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one?
The IUPAC name of 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one (CID 6371350) is 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one.
What is the SMILES notation for 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one?
The canonical SMILES for 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2ccc(OC/C(=N/O)c3ccccc3)cc2o1.
What is the InChIKey of 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one?
The InChIKey is PJEKACSXNQJEAT-FLFQWRMESA-N. The full InChI is InChI=1S/C23H17NO4/c25-23-14-20(16-7-3-1-4-8-16)19-12-11-18(13-22(19)28-23)27-15-21(24-26)17-9-5-2-6-10-17/h1-14,26H,15H2/b24-21-.
What are the key properties of 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one?
7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one has a molecular weight of 371.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-hydroxyimino-2-phenylethoxy]-4-phenylchromen-2-one is sourced from PubChem (CID 6371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).