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

C20H22O7 — CID 15209322

IUPACmethyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1ccccc1C(=O)OC
InChIInChI=1S/C20H22O7/c1-23-19(21)15-7-3-5-9-17(15)26-13-11-25-12-14-27-18-10-6-4-8-16(18)20(22)24-2/h3-10H,11-14H2,1-2H3
InChIKeyBVKMZSGILSRMHL-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.73
Rot. Bonds10

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

methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate (PubChem CID 15209322) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
PubChem CID15209322
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Namemethyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1ccccc1C(=O)OC
InChIInChI=1S/C20H22O7/c1-23-19(21)15-7-3-5-9-17(15)26-13-11-25-12-14-27-18-10-6-4-8-16(18)20(22)24-2/h3-10H,11-14H2,1-2H3
InChIKeyBVKMZSGILSRMHL-UHFFFAOYSA-N
XLogP2.73
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.73
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-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
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 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
methyl 2-(4-bromobutoxy)benzoate
CID 11066070
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
CID 10981850
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate?
The IUPAC name of methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate (CID 15209322) is methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate is COC(=O)c1ccccc1OCCOCCOc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate?
The InChIKey is BVKMZSGILSRMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O7/c1-23-19(21)15-7-3-5-9-17(15)26-13-11-25-12-14-27-18-10-6-4-8-16(18)20(22)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate?
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate has a molecular weight of 374.39 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate is sourced from PubChem (CID 15209322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).