(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

C24H24O6 — CID 9328528

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SMILESCCc1ccc2c(COC(=O)COc3cccc4c3OC(C)(C)C4)cc(=O)oc2c1
InChIInChI=1S/C24H24O6/c1-4-15-8-9-18-17(11-21(25)29-20(18)10-15)13-28-22(26)14-27-19-7-5-6-16-12-24(2,3)30-23(16)19/h5-11H,4,12-14H2,1-3H3
InChIKeyKHNNSOQADCDVRY-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.19
Rot. Bonds6

About (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate

(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (PubChem CID 9328528) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
PubChem CID9328528
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SMILESCCc1ccc2c(COC(=O)COc3cccc4c3OC(C)(C)C4)cc(=O)oc2c1
InChIInChI=1S/C24H24O6/c1-4-15-8-9-18-17(11-21(25)29-20(18)10-15)13-28-22(26)14-27-19-7-5-6-16-12-24(2,3)30-23(16)19/h5-11H,4,12-14H2,1-3H3
InChIKeyKHNNSOQADCDVRY-UHFFFAOYSA-N
XLogP4.19
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.19
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 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate with MolForge

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Related Compounds

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855713
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate
CID 7803829
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
(7-ethyl-2-oxochromen-4-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 18228106
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,3-dimethylphenoxy)acetate
CID 7981980
(7-ethyl-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate
CID 8014134
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855738
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-(2,3-dimethylphenoxy)acetate
CID 7982065
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-ethyl-2-oxochromen-4-yl)methyl 2,5-dimethylthiophene-3-carboxylate
CID 8878180
(7-ethyl-2-oxochromen-4-yl)methyl 2,4,5-trimethoxybenzoate
CID 8753682

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate (CID 9328528) is (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is CCc1ccc2c(COC(=O)COc3cccc4c3OC(C)(C)C4)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
The InChIKey is KHNNSOQADCDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-4-15-8-9-18-17(11-21(25)29-20(18)10-15)13-28-22(26)14-27-19-7-5-6-16-12-24(2,3)30-23(16)19/h5-11H,4,12-14H2,1-3H3.
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate?
(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate has a molecular weight of 408.45 g/mol, XLogP of 4.19, 6 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 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate is sourced from PubChem (CID 9328528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).