[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate

C24H23NO7 — CID 19186964

IUPAC[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1
InChIInChI=1S/C24H23NO7/c1-15-5-2-3-7-20(15)30-14-22(26)31-17-9-8-16-11-19(24(28)32-21(16)12-17)23(27)25-13-18-6-4-10-29-18/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3,(H,25,27)
InChIKeyCOYCKHVKVDEYAW-UHFFFAOYSA-N
MW437.45 g/mol
LogP2.99
Rot. Bonds7

About [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate

[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate (PubChem CID 19186964) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate
PubChem CID19186964
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Name[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1
InChIInChI=1S/C24H23NO7/c1-15-5-2-3-7-20(15)30-14-22(26)31-17-9-8-16-11-19(24(28)32-21(16)12-17)23(27)25-13-18-6-4-10-29-18/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3,(H,25,27)
InChIKeyCOYCKHVKVDEYAW-UHFFFAOYSA-N
XLogP2.99
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(4-nitrophenoxy)acetate
CID 19186848
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
CID 19185742
[2-oxo-3-(propylcarbamoyl)chromen-7-yl] 2-(2-ethylphenoxy)acetate
CID 19187258
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19185547
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(2-bromophenoxy)acetate
CID 19180582
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 19186289
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 19185552
[3-(butylcarbamoyl)-2-oxochromen-7-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180581
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(2-tert-butyl-4-methylphenoxy)acetate
CID 19185533
[3-(cyclohexylcarbamoyl)-2-oxochromen-7-yl] 2-(4-bromo-3-methylphenoxy)acetate
CID 19187072
[2-oxo-3-(2-phenylethylcarbamoyl)chromen-7-yl] 2-(4-methylphenoxy)acetate
CID 19186708

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate (CID 19186964) is [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1.
What is the InChIKey of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate?
The InChIKey is COYCKHVKVDEYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-15-5-2-3-7-20(15)30-14-22(26)31-17-9-8-16-11-19(24(28)32-21(16)12-17)23(27)25-13-18-6-4-10-29-18/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3,(H,25,27).
What are the key properties of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate?
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate has a molecular weight of 437.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 19186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).