(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C23H18O8 — CID 4857472

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1ccc2c(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc(=O)oc2c1
InChIInChI=1S/C23H18O8/c1-13-7-21(24)30-19-10-16(4-5-17(13)19)28-12-23(26)29-11-14-8-22(25)31-20-9-15(27-2)3-6-18(14)20/h3-10H,11-12H2,1-2H3
InChIKeySSUNSFPYVYDYOG-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.34
Rot. Bonds6

About (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 4857472) has the molecular formula C23H18O8 and a molecular weight of 422.39 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID4857472
Molecular FormulaC23H18O8
Molecular Weight422.39 g/mol
Exact Mass422.10
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCOc1ccc2c(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc(=O)oc2c1
InChIInChI=1S/C23H18O8/c1-13-7-21(24)30-19-10-16(4-5-17(13)19)28-12-23(26)29-11-14-8-22(25)31-20-9-15(27-2)3-6-18(14)20/h3-10H,11-12H2,1-2H3
InChIKeySSUNSFPYVYDYOG-UHFFFAOYSA-N
XLogP3.34
TPSA105.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate 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

(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 5154223
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 23736109
(7-methoxy-2-oxochromen-4-yl)methyl 4-hydroxybutanoate
CID 10565549
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844242
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883
(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-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 4857472) is (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is COc1ccc2c(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc(=O)oc2c1.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is SSUNSFPYVYDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O8/c1-13-7-21(24)30-19-10-16(4-5-17(13)19)28-12-23(26)29-11-14-8-22(25)31-20-9-15(27-2)3-6-18(14)20/h3-10H,11-12H2,1-2H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 422.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 4857472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).