dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate

C16H16O6 — CID 10494700

IUPACdimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2cc1C(=O)OC
InChIInChI=1S/C16H16O6/c1-19-13-7-9-5-11(15(17)21-3)12(16(18)22-4)6-10(9)8-14(13)20-2/h5-8H,1-4H3
InChIKeyCLSUUBKHESYDME-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.43
Rot. Bonds4

About dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate

dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate (PubChem CID 10494700) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
PubChem CID10494700
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namedimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC)c(OC)cc2cc1C(=O)OC
InChIInChI=1S/C16H16O6/c1-19-13-7-9-5-11(15(17)21-3)12(16(18)22-4)6-10(9)8-14(13)20-2/h5-8H,1-4H3
InChIKeyCLSUUBKHESYDME-UHFFFAOYSA-N
XLogP2.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate 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

4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
methyl 3-amino-7-(3-chloropropoxy)-6-methoxynaphthalene-2-carboxylate
CID 10936217
methyl 6-hydroxy-2,3-dimethoxyphenanthrene-9-carboxylate
CID 50915529
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
methyl 5-bromo-3-methoxy-2-methylbenzoate
CID 70807623
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 7-(3-chloropropoxy)-6-methoxy-3-nitronaphthalene-2-carboxylate
CID 11100298

Frequently Asked Questions

What is the IUPAC name of dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate (CID 10494700) is dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate is COC(=O)c1cc2cc(OC)c(OC)cc2cc1C(=O)OC.
What is the InChIKey of dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate?
The InChIKey is CLSUUBKHESYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-13-7-9-5-11(15(17)21-3)12(16(18)22-4)6-10(9)8-14(13)20-2/h5-8H,1-4H3.
What are the key properties of dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate?
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate has a molecular weight of 304.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 10494700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).