methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate

C17H17ClO5 — CID 78766506

IUPACmethyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1ccccc1Cl
InChIInChI=1S/C17H17ClO5/c1-20-12-7-8-13(17(19)21-2)16(11-12)23-10-9-22-15-6-4-3-5-14(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyWIOUFDDXSMMOTJ-UHFFFAOYSA-N
MW336.77 g/mol
LogP3.59
Rot. Bonds7

About methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate

methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate (PubChem CID 78766506) has the molecular formula C17H17ClO5 and a molecular weight of 336.77 g/mol. Its IUPAC name is methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
PubChem CID78766506
Molecular FormulaC17H17ClO5
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Namemethyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCCOc1ccccc1Cl
InChIInChI=1S/C17H17ClO5/c1-20-12-7-8-13(17(19)21-2)16(11-12)23-10-9-22-15-6-4-3-5-14(15)18/h3-8,11H,9-10H2,1-2H3
InChIKeyWIOUFDDXSMMOTJ-UHFFFAOYSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 53.59
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 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
methyl 2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxybenzoate
CID 52891591
dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate
CID 17391117
methyl 2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzoate
CID 7705076
methyl 2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoate
CID 91190692
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate (CID 78766506) is methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCCOc1ccccc1Cl.
What is the InChIKey of methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate?
The InChIKey is WIOUFDDXSMMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO5/c1-20-12-7-8-13(17(19)21-2)16(11-12)23-10-9-22-15-6-4-3-5-14(15)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate?
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate has a molecular weight of 336.77 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate is sourced from PubChem (CID 78766506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).