methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate

C22H18O7 — CID 7295564

IUPACmethyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate
SMILESCOC(=O)COc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C
InChIInChI=1S/C22H18O7/c1-12-7-18-14(9-17(12)27-11-21(24)26-3)15(10-20(23)28-18)19-8-13-5-4-6-16(25-2)22(13)29-19/h4-10H,11H2,1-3H3
InChIKeyNDTXZKHQOFKOCY-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.08
Rot. Bonds5

About methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate

methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate (PubChem CID 7295564) has the molecular formula C22H18O7 and a molecular weight of 394.38 g/mol. Its IUPAC name is methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate
PubChem CID7295564
Molecular FormulaC22H18O7
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Namemethyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate
SMILESCOC(=O)COc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C
InChIInChI=1S/C22H18O7/c1-12-7-18-14(9-17(12)27-11-21(24)26-3)15(10-20(23)28-18)19-8-13-5-4-6-16(25-2)22(13)29-19/h4-10H,11H2,1-3H3
InChIKeyNDTXZKHQOFKOCY-UHFFFAOYSA-N
XLogP4.08
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-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-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
CID 7295581
4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-6-(3-methylbut-2-enoxy)chromen-2-one
CID 7295587
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] propanoate
CID 7295508
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 2,6-dimethoxybenzoate
CID 44915621
[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl] 4-methylbenzoate
CID 44915884
4-(7-methoxy-1-benzofuran-2-yl)-6-(2-oxopropoxy)chromen-2-one
CID 7295592
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxochromen-6-yl] propanoate
CID 7295507
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-methylpropanoate
CID 44915623
[4-(7-methoxy-1-benzofuran-2-yl)-2-oxo-7-phenylchromen-6-yl] 2-bromobenzoate
CID 44915965
4-(7-ethoxy-1-benzofuran-2-yl)-6-ethylchromen-2-one
CID 908910
2-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethylquinoline-4-carboxylic acid
CID 3995413
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate?
The IUPAC name of methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate (CID 7295564) is methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate.
What is the SMILES notation for methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate?
The canonical SMILES for methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate is COC(=O)COc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C.
What is the InChIKey of methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate?
The InChIKey is NDTXZKHQOFKOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O7/c1-12-7-18-14(9-17(12)27-11-21(24)26-3)15(10-20(23)28-18)19-8-13-5-4-6-16(25-2)22(13)29-19/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate?
methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate has a molecular weight of 394.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetate is sourced from PubChem (CID 7295564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).