ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate

C26H20O7 — CID 19180001

IUPACethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OC(=O)COc3ccc(-c4ccccc4)cc3)cc2oc1=O
InChIInChI=1S/C26H20O7/c1-2-30-25(28)22-14-19-10-13-21(15-23(19)33-26(22)29)32-24(27)16-31-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyMGHMSDZYIQHTMW-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.62
Rot. Bonds7

About ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate

ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate (PubChem CID 19180001) has the molecular formula C26H20O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
PubChem CID19180001
Molecular FormulaC26H20O7
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC Nameethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OC(=O)COc3ccc(-c4ccccc4)cc3)cc2oc1=O
InChIInChI=1S/C26H20O7/c1-2-30-25(28)22-14-19-10-13-21(15-23(19)33-26(22)29)32-24(27)16-31-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3
InChIKeyMGHMSDZYIQHTMW-UHFFFAOYSA-N
XLogP4.62
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-[2-(4-chlorophenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179575
(3-carbamoyl-2-oxochromen-7-yl) 2-phenoxyacetate
CID 19186694
ethyl 7-[2-(2-bromo-4-methylphenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179984
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-(4-phenylphenoxy)acetate
CID 19187034
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
CID 19186836
[2-oxo-3-(2-phenylethylcarbamoyl)chromen-7-yl] 2-(4-methylphenoxy)acetate
CID 19186708
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
ethyl 7-[2-(4-bromo-2-tert-butylphenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19180093
ethyl 2-oxo-7-(3,4,5-triethoxybenzoyl)oxychromene-3-carboxylate
CID 19181570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate?
The IUPAC name of ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate (CID 19180001) is ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate is CCOC(=O)c1cc2ccc(OC(=O)COc3ccc(-c4ccccc4)cc3)cc2oc1=O.
What is the InChIKey of ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate?
The InChIKey is MGHMSDZYIQHTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O7/c1-2-30-25(28)22-14-19-10-13-21(15-23(19)33-26(22)29)32-24(27)16-31-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate?
ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate has a molecular weight of 444.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate is sourced from PubChem (CID 19180001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).