methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate

C24H24O9 — CID 18739332

IUPACmethyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(OCC(=O)OC)c3cc(C)ccc3cc2c1OCC(=O)OC
InChIInChI=1S/C24H24O9/c1-14-5-6-15-10-18-16(23(17(15)9-14)32-12-21(26)29-3)7-8-19(31-11-20(25)28-2)24(18)33-13-22(27)30-4/h5-10H,11-13H2,1-4H3
InChIKeyQVCPBOLSTWKLCK-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.96
Rot. Bonds9

About methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate

methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate (PubChem CID 18739332) has the molecular formula C24H24O9 and a molecular weight of 456.45 g/mol. Its IUPAC name is methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate
PubChem CID18739332
Molecular FormulaC24H24O9
Molecular Weight456.45 g/mol
Exact Mass456.14
IUPAC Namemethyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate
SMILESCOC(=O)COc1ccc2c(OCC(=O)OC)c3cc(C)ccc3cc2c1OCC(=O)OC
InChIInChI=1S/C24H24O9/c1-14-5-6-15-10-18-16(23(17(15)9-14)32-12-21(26)29-3)7-8-19(31-11-20(25)28-2)24(18)33-13-22(27)30-4/h5-10H,11-13H2,1-4H3
InChIKeyQVCPBOLSTWKLCK-UHFFFAOYSA-N
XLogP2.96
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate?
The IUPAC name of methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate (CID 18739332) is methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate?
The canonical SMILES for methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate is COC(=O)COc1ccc2c(OCC(=O)OC)c3cc(C)ccc3cc2c1OCC(=O)OC.
What is the InChIKey of methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate?
The InChIKey is QVCPBOLSTWKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O9/c1-14-5-6-15-10-18-16(23(17(15)9-14)32-12-21(26)29-3)7-8-19(31-11-20(25)28-2)24(18)33-13-22(27)30-4/h5-10H,11-13H2,1-4H3.
What are the key properties of methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate?
methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate has a molecular weight of 456.45 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,10-bis(2-methoxy-2-oxoethoxy)-6-methylanthracen-2-yl]oxyacetate is sourced from PubChem (CID 18739332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).