methyl 2,3-bis(2-methoxyethoxy)benzoate

C14H20O6 — CID 66888836

IUPACmethyl 2,3-bis(2-methoxyethoxy)benzoate
SMILESCOCCOc1cccc(C(=O)OC)c1OCCOC
InChIInChI=1S/C14H20O6/c1-16-7-9-19-12-6-4-5-11(14(15)18-3)13(12)20-10-8-17-2/h4-6H,7-10H2,1-3H3
InChIKeyZEACTIDPOMQQLG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.52
Rot. Bonds9

About methyl 2,3-bis(2-methoxyethoxy)benzoate

methyl 2,3-bis(2-methoxyethoxy)benzoate (PubChem CID 66888836) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2,3-bis(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2,3-bis(2-methoxyethoxy)benzoate
PubChem CID66888836
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Namemethyl 2,3-bis(2-methoxyethoxy)benzoate
SMILESCOCCOc1cccc(C(=O)OC)c1OCCOC
InChIInChI=1S/C14H20O6/c1-16-7-9-19-12-6-4-5-11(14(15)18-3)13(12)20-10-8-17-2/h4-6H,7-10H2,1-3H3
InChIKeyZEACTIDPOMQQLG-UHFFFAOYSA-N
XLogP1.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
methyl 3-amino-2-(2-ethoxyethoxy)benzoate
CID 112579638
methyl 3-amino-2-(2-phenoxyethoxy)benzoate
CID 115935668
methyl 3-hydroxy-2-tetradecoxybenzoate
CID 19014178
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-bis(2-methoxyethoxy)benzoate?
The IUPAC name of methyl 2,3-bis(2-methoxyethoxy)benzoate (CID 66888836) is methyl 2,3-bis(2-methoxyethoxy)benzoate.
What is the SMILES notation for methyl 2,3-bis(2-methoxyethoxy)benzoate?
The canonical SMILES for methyl 2,3-bis(2-methoxyethoxy)benzoate is COCCOc1cccc(C(=O)OC)c1OCCOC.
What is the InChIKey of methyl 2,3-bis(2-methoxyethoxy)benzoate?
The InChIKey is ZEACTIDPOMQQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-16-7-9-19-12-6-4-5-11(14(15)18-3)13(12)20-10-8-17-2/h4-6H,7-10H2,1-3H3.
What are the key properties of methyl 2,3-bis(2-methoxyethoxy)benzoate?
methyl 2,3-bis(2-methoxyethoxy)benzoate has a molecular weight of 284.31 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis(2-methoxyethoxy)benzoate is sourced from PubChem (CID 66888836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).