methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate

C71H102O28 — CID 159680615

IUPACmethyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate
SMILESCOC(=O)c1ccc(COCCOCCO)cc1.COC(=O)c1ccc(COCCOCCOCCO)cc1.COC(=O)c1cccc(COCCOCCO)c1.COC(=O)c1cccc(COCCOCCOCCO)c1.COC(=O)c1ccccc1COCCOCCOCCO
InChIInChI=1S/3C15H22O6.2C13H18O5/c1-18-15(17)14-4-2-13(3-5-14)12-21-11-10-20-9-8-19-7-6-16;1-18-15(17)14-4-2-3-13(11-14)12-21-10-9-20-8-7-19-6-5-16;1-18-15(17)14-5-3-2-4-13(14)12-21-11-10-20-9-8-19-7-6-16;1-16-13(15)12-4-2-11(3-5-12)10-18-9-8-17-7-6-14;1-16-13(15)12-4-2-3-11(9-12)10-18-8-7-17-6-5-14/h2-5,16H,6-12H2,1H3;2-4,11,16H,5-10,12H2,1H3;2-5,16H,6-12H2,1H3;2-5,14H,6-10H2,1H3;2-4,9,14H,5-8,10H2,1H3
InChIKeyMVDWKEXQRDKNKK-UHFFFAOYSA-N
MW1403.57 g/mol
LogP5.04
Rot. Bonds49

About methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate

methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate (PubChem CID 159680615) has the molecular formula C71H102O28 and a molecular weight of 1403.57 g/mol. Its IUPAC name is methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate
PubChem CID159680615
Molecular FormulaC71H102O28
Molecular Weight1403.57 g/mol
Exact Mass1402.66
IUPAC Namemethyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate
SMILESCOC(=O)c1ccc(COCCOCCO)cc1.COC(=O)c1ccc(COCCOCCOCCO)cc1.COC(=O)c1cccc(COCCOCCO)c1.COC(=O)c1cccc(COCCOCCOCCO)c1.COC(=O)c1ccccc1COCCOCCOCCO
InChIInChI=1S/3C15H22O6.2C13H18O5/c1-18-15(17)14-4-2-13(3-5-14)12-21-11-10-20-9-8-19-7-6-16;1-18-15(17)14-4-2-3-13(11-14)12-21-10-9-20-8-7-19-6-5-16;1-18-15(17)14-5-3-2-4-13(14)12-21-11-10-20-9-8-19-7-6-16;1-16-13(15)12-4-2-11(3-5-12)10-18-9-8-17-7-6-14;1-16-13(15)12-4-2-3-11(9-12)10-18-8-7-17-6-5-14/h2-5,16H,6-12H2,1H3;2-4,11,16H,5-10,12H2,1H3;2-5,16H,6-12H2,1H3;2-5,14H,6-10H2,1H3;2-4,9,14H,5-8,10H2,1H3
InChIKeyMVDWKEXQRDKNKK-UHFFFAOYSA-N
XLogP5.04
TPSA352.64 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds49
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.57
LogP ≤ 55.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate with MolForge

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Related Compounds

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methyl 3-[2-(2-methylpropylamino)ethoxymethyl]benzoate
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methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
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4-[[3-[[2-(hydroxymethyl)benzoyl]oxymethyl]benzoyl]oxymethyl]benzoic acid
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methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
CID 162210994
2-hydroxyethyl 4-(2-hydroxyethoxymethyl)benzoate
CID 69170087
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate?
The IUPAC name of methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate (CID 159680615) is methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate.
What is the SMILES notation for methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate?
The canonical SMILES for methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate is COC(=O)c1ccc(COCCOCCO)cc1.COC(=O)c1ccc(COCCOCCOCCO)cc1.COC(=O)c1cccc(COCCOCCO)c1.COC(=O)c1cccc(COCCOCCOCCO)c1.COC(=O)c1ccccc1COCCOCCOCCO.
What is the InChIKey of methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate?
The InChIKey is MVDWKEXQRDKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H22O6.2C13H18O5/c1-18-15(17)14-4-2-13(3-5-14)12-21-11-10-20-9-8-19-7-6-16;1-18-15(17)14-4-2-3-13(11-14)12-21-10-9-20-8-7-19-6-5-16;1-18-15(17)14-5-3-2-4-13(14)12-21-11-10-20-9-8-19-7-6-16;1-16-13(15)12-4-2-11(3-5-12)10-18-9-8-17-7-6-14;1-16-13(15)12-4-2-3-11(9-12)10-18-8-7-17-6-5-14/h2-5,16H,6-12H2,1H3;2-4,11,16H,5-10,12H2,1H3;2-5,16H,6-12H2,1H3;2-5,14H,6-10H2,1H3;2-4,9,14H,5-8,10H2,1H3.
What are the key properties of methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate?
methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate has a molecular weight of 1403.57 g/mol, XLogP of 5.04, 49 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;methyl 3-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate;methyl 4-[2-(2-hydroxyethoxy)ethoxymethyl]benzoate is sourced from PubChem (CID 159680615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).