dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate

C14H18O7 — CID 59569387

IUPACdimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
SMILESCOCCOc1cc(C(=O)OC)c(C(=O)OC)cc1OC
InChIInChI=1S/C14H18O7/c1-17-5-6-21-12-8-10(14(16)20-4)9(13(15)19-3)7-11(12)18-2/h7-8H,5-6H2,1-4H3
InChIKeyQYFPWJBEMLPBJF-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.29
Rot. Bonds7

About dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate

dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate (PubChem CID 59569387) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
PubChem CID59569387
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namedimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
SMILESCOCCOc1cc(C(=O)OC)c(C(=O)OC)cc1OC
InChIInChI=1S/C14H18O7/c1-17-5-6-21-12-8-10(14(16)20-4)9(13(15)19-3)7-11(12)18-2/h7-8H,5-6H2,1-4H3
InChIKeyQYFPWJBEMLPBJF-UHFFFAOYSA-N
XLogP1.29
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
methyl 3-amino-7-(3-chloropropoxy)-6-methoxynaphthalene-2-carboxylate
CID 10936217
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate (CID 59569387) is dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate is COCCOc1cc(C(=O)OC)c(C(=O)OC)cc1OC.
What is the InChIKey of dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate?
The InChIKey is QYFPWJBEMLPBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-17-5-6-21-12-8-10(14(16)20-4)9(13(15)19-3)7-11(12)18-2/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate?
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate has a molecular weight of 298.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate is sourced from PubChem (CID 59569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).