dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate

C26H24O8 — CID 71682574

IUPACdimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate
SMILESCOC(=O)Cc1ccccc1-c1c(C(=O)OC)c(C(=O)OC)cc2c(CC(=O)OC)cccc12
InChIInChI=1S/C26H24O8/c1-31-21(27)12-15-8-5-6-10-17(15)23-18-11-7-9-16(13-22(28)32-2)19(18)14-20(25(29)33-3)24(23)26(30)34-4/h5-11,14H,12-13H2,1-4H3
InChIKeyPEXAPNRVXKIVIE-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.51
Rot. Bonds7

About dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate

dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate (PubChem CID 71682574) has the molecular formula C26H24O8 and a molecular weight of 464.47 g/mol. Its IUPAC name is dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate
PubChem CID71682574
Molecular FormulaC26H24O8
Molecular Weight464.47 g/mol
Exact Mass464.15
IUPAC Namedimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate
SMILESCOC(=O)Cc1ccccc1-c1c(C(=O)OC)c(C(=O)OC)cc2c(CC(=O)OC)cccc12
InChIInChI=1S/C26H24O8/c1-31-21(27)12-15-8-5-6-10-17(15)23-18-11-7-9-16(13-22(28)32-2)19(18)14-20(25(29)33-3)24(23)26(30)34-4/h5-11,14H,12-13H2,1-4H3
InChIKeyPEXAPNRVXKIVIE-UHFFFAOYSA-N
XLogP3.51
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate with MolForge

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Related Compounds

dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 5-fluoro-2-naphthalen-1-ylbenzoate
CID 141376687
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
ethane;methyl 5-bromo-2-naphthalen-1-ylbenzoate
CID 144844652
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate (CID 71682574) is dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate is COC(=O)Cc1ccccc1-c1c(C(=O)OC)c(C(=O)OC)cc2c(CC(=O)OC)cccc12.
What is the InChIKey of dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate?
The InChIKey is PEXAPNRVXKIVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O8/c1-31-21(27)12-15-8-5-6-10-17(15)23-18-11-7-9-16(13-22(28)32-2)19(18)14-20(25(29)33-3)24(23)26(30)34-4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate?
dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate has a molecular weight of 464.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(2-methoxy-2-oxoethyl)-1-[2-(2-methoxy-2-oxoethyl)phenyl]naphthalene-2,3-dicarboxylate is sourced from PubChem (CID 71682574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).