bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate

C28H20O8 — CID 139985700

IUPACbis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc2ccc(C(=O)Oc3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C28H20O8/c1-33-27(31)21-7-3-5-9-23(21)35-25(29)18-13-11-17-12-14-19(16-20(17)15-18)26(30)36-24-10-6-4-8-22(24)28(32)34-2/h3-16H,1-2H3
InChIKeyBXPOLVRYLOZFMO-UHFFFAOYSA-N
MW484.46 g/mol
LogP4.85
Rot. Bonds6

About bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate

bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate (PubChem CID 139985700) has the molecular formula C28H20O8 and a molecular weight of 484.46 g/mol. Its IUPAC name is bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate.

Molecular Properties

Compound Namebis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
PubChem CID139985700
Molecular FormulaC28H20O8
Molecular Weight484.46 g/mol
Exact Mass484.12
IUPAC Namebis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc2ccc(C(=O)Oc3ccccc3C(=O)OC)cc2c1
InChIInChI=1S/C28H20O8/c1-33-27(31)21-7-3-5-9-23(21)35-25(29)18-13-11-17-12-14-19(16-20(17)15-18)26(30)36-24-10-6-4-8-22(24)28(32)34-2/h3-16H,1-2H3
InChIKeyBXPOLVRYLOZFMO-UHFFFAOYSA-N
XLogP4.85
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-[4-(dimethylsulfamoyl)benzoyl]oxybenzoate
CID 17391310
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
4-(2-ethoxycarbonylphenoxy)carbonyl-2-(2-methoxycarbonylphenyl)benzoic acid
CID 154182109
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate?
The IUPAC name of bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate (CID 139985700) is bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate.
What is the SMILES notation for bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate?
The canonical SMILES for bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate is COC(=O)c1ccccc1OC(=O)c1ccc2ccc(C(=O)Oc3ccccc3C(=O)OC)cc2c1.
What is the InChIKey of bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate?
The InChIKey is BXPOLVRYLOZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O8/c1-33-27(31)21-7-3-5-9-23(21)35-25(29)18-13-11-17-12-14-19(16-20(17)15-18)26(30)36-24-10-6-4-8-22(24)28(32)34-2/h3-16H,1-2H3.
What are the key properties of bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate?
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate has a molecular weight of 484.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate is sourced from PubChem (CID 139985700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).