methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate

C20H17ClO5 — CID 1413359

IUPACmethyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCOC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)cc(C)c2c1=O
InChIInChI=1S/C20H17ClO5/c1-11-8-12(2)17-15(9-11)26-19(13-6-4-5-7-14(13)21)20(18(17)23)25-10-16(22)24-3/h4-9H,10H2,1-3H3
InChIKeySWDTUDCFKVSSDN-UHFFFAOYSA-N
MW372.80 g/mol
LogP4.28
Rot. Bonds4

About methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate

methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate (PubChem CID 1413359) has the molecular formula C20H17ClO5 and a molecular weight of 372.80 g/mol. Its IUPAC name is methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
PubChem CID1413359
Molecular FormulaC20H17ClO5
Molecular Weight372.80 g/mol
Exact Mass372.08
IUPAC Namemethyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCOC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)cc(C)c2c1=O
InChIInChI=1S/C20H17ClO5/c1-11-8-12(2)17-15(9-11)26-19(13-6-4-5-7-14(13)21)20(18(17)23)25-10-16(22)24-3/h4-9H,10H2,1-3H3
InChIKeySWDTUDCFKVSSDN-UHFFFAOYSA-N
XLogP4.28
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-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-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1413366
N-[4-[2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetyl]phenyl]acetamide
CID 1413371
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413369
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)chromen-4-one
CID 1413434
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1413410
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate (CID 1413359) is methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate is COC(=O)COc1c(-c2ccccc2Cl)oc2cc(C)cc(C)c2c1=O.
What is the InChIKey of methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The InChIKey is SWDTUDCFKVSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO5/c1-11-8-12(2)17-15(9-11)26-19(13-6-4-5-7-14(13)21)20(18(17)23)25-10-16(22)24-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate has a molecular weight of 372.80 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetate is sourced from PubChem (CID 1413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).