methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate

C20H18O6 — CID 7198355

IUPACmethyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C20H18O6/c1-12-16-9-8-15(25-11-18(21)24-3)10-17(16)26-20(22)19(12)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3
InChIKeyOIDQBWZNIPTBSV-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.33
Rot. Bonds5

About methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate

methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate (PubChem CID 7198355) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
PubChem CID7198355
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Namemethyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1
InChIInChI=1S/C20H18O6/c1-12-16-9-8-15(25-11-18(21)24-3)10-17(16)26-20(22)19(12)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3
InChIKeyOIDQBWZNIPTBSV-UHFFFAOYSA-N
XLogP3.33
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[3-(4-methoxyphenyl)-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

3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
prop-2-enyl 2-(4-methyl-2-oxo-3-phenylchromen-7-yl)oxyacetate
CID 7198306
benzyl 2-[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 44963701
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] 4-chlorobenzoate
CID 44963557
[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl] cyclohexanecarboxylate
CID 44669858
7-[2-(4-chlorophenyl)-2-oxoethoxy]-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 44963485
methyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055069
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate?
The IUPAC name of methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate (CID 7198355) is methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate?
The canonical SMILES for methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate is COC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1.
What is the InChIKey of methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate?
The InChIKey is OIDQBWZNIPTBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-12-16-9-8-15(25-11-18(21)24-3)10-17(16)26-20(22)19(12)13-4-6-14(23-2)7-5-13/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate?
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate has a molecular weight of 354.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate is sourced from PubChem (CID 7198355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).