(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate

C23H16O5 — CID 8913011

IUPAC(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
SMILESO=C(COc1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H16O5/c24-22(15-26-17-9-5-2-6-10-17)28-18-11-12-19-21(13-18)27-14-20(23(19)25)16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyKVESZVOWFFGCDH-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.44
Rot. Bonds5

About (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate

(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate (PubChem CID 8913011) has the molecular formula C23H16O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate.

Molecular Properties

Compound Name(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
PubChem CID8913011
Molecular FormulaC23H16O5
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
SMILESO=C(COc1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChIInChI=1S/C23H16O5/c24-22(15-26-17-9-5-2-6-10-17)28-18-11-12-19-21(13-18)27-14-20(23(19)25)16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyKVESZVOWFFGCDH-UHFFFAOYSA-N
XLogP4.44
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-oxo-3-phenylchromen-7-yl) 2-(3-methylphenoxy)acetate
CID 8913102
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
[3-(4-fluorophenyl)-4-oxochromen-7-yl] 6-[(2-phenoxyacetyl)amino]hexanoate
CID 5195200
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
N-benzyl-N-methyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 2421773
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
(4-oxo-3-phenylchromen-7-yl) 2-chloro-2-phenylacetate
CID 110274410
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
3-phenyl-7-(2-phenylethoxy)chromen-4-one
CID 23878926

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate?
The IUPAC name of (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate (CID 8913011) is (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate.
What is the SMILES notation for (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate?
The canonical SMILES for (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate is O=C(COc1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1.
What is the InChIKey of (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate?
The InChIKey is KVESZVOWFFGCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O5/c24-22(15-26-17-9-5-2-6-10-17)28-18-11-12-19-21(13-18)27-14-20(23(19)25)16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate?
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate has a molecular weight of 372.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate is sourced from PubChem (CID 8913011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).