ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate

C19H16O5 — CID 8395

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IUPACethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZVXBAHLOGZCFTP-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.40
Rot. Bonds5

About ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate

ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate (PubChem CID 8395) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
PubChem CID8395
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Nameethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyZVXBAHLOGZCFTP-UHFFFAOYSA-N
XLogP3.40
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Genistein
CID 5280961
Tangeretin
CID 68077
Octabenzone
CID 15797
Apigenin
CID 5280443
Naringenin
CID 439246
Kaempferol
CID 5280863
Daidzein
CID 5281708
Chrysin
CID 5281607
Galangin
CID 5281616
Biochanin A
CID 5280373
Formononetin
CID 5280378
Nobiletin
CID 72344

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate?
The IUPAC name of ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate (CID 8395) is ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate?
The canonical SMILES for ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate is CCOC(=O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate?
The InChIKey is ZVXBAHLOGZCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-2-22-19(21)12-23-14-8-9-15-16(20)11-17(24-18(15)10-14)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate?
ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate has a molecular weight of 324.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-2-phenylchromen-7-yl)oxyacetate is sourced from PubChem (CID 8395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).