methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate

C13H18O5 — CID 102383086

IUPACmethyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
SMILESCOCCOCCOc1ccccc1C(=O)OC
InChIInChI=1S/C13H18O5/c1-15-7-8-17-9-10-18-12-6-4-3-5-11(12)13(14)16-2/h3-6H,7-10H2,1-2H3
InChIKeyOIBDBFWWHXOHED-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.51
Rot. Bonds8

About methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate

methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate (PubChem CID 102383086) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
PubChem CID102383086
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
SMILESCOCCOCCOc1ccccc1C(=O)OC
InChIInChI=1S/C13H18O5/c1-15-7-8-17-9-10-18-12-6-4-3-5-11(12)13(14)16-2/h3-6H,7-10H2,1-2H3
InChIKeyOIBDBFWWHXOHED-UHFFFAOYSA-N
XLogP1.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
CID 2936166
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
methyl 2-(2-aminoethoxy)benzoate
CID 14273287
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate?
The IUPAC name of methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate (CID 102383086) is methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate is COCCOCCOc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate?
The InChIKey is OIBDBFWWHXOHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-15-7-8-17-9-10-18-12-6-4-3-5-11(12)13(14)16-2/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate?
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate has a molecular weight of 254.28 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate is sourced from PubChem (CID 102383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).