(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate

C22H22O6 — CID 46789081

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
SMILESCCc1ccc2c(COC(=O)CCOc3ccc(OC)cc3)cc(=O)oc2c1
InChIInChI=1S/C22H22O6/c1-3-15-4-9-19-16(13-22(24)28-20(19)12-15)14-27-21(23)10-11-26-18-7-5-17(25-2)6-8-18/h4-9,12-13H,3,10-11,14H2,1-2H3
InChIKeyCSMZAJGYFMWICW-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.88
Rot. Bonds8

About (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate

(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate (PubChem CID 46789081) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
PubChem CID46789081
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
SMILESCCc1ccc2c(COC(=O)CCOc3ccc(OC)cc3)cc(=O)oc2c1
InChIInChI=1S/C22H22O6/c1-3-15-4-9-19-16(13-22(24)28-20(19)12-15)14-27-21(23)10-11-26-18-7-5-17(25-2)6-8-18/h4-9,12-13H,3,10-11,14H2,1-2H3
InChIKeyCSMZAJGYFMWICW-UHFFFAOYSA-N
XLogP3.88
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate 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

(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 9139517
(7-ethyl-2-oxochromen-4-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 18228106
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 7840609
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(4-methoxyphenyl)acetate
CID 8011779
(7-ethyl-2-oxochromen-4-yl)methyl 2,4,5-trimethoxybenzoate
CID 8753682
(7-methoxy-2-oxochromen-4-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 7265351
(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615722
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 4693748

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate (CID 46789081) is (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate is CCc1ccc2c(COC(=O)CCOc3ccc(OC)cc3)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate?
The InChIKey is CSMZAJGYFMWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-3-15-4-9-19-16(13-22(24)28-20(19)12-15)14-27-21(23)10-11-26-18-7-5-17(25-2)6-8-18/h4-9,12-13H,3,10-11,14H2,1-2H3.
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate?
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate has a molecular weight of 382.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 46789081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).