dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate

C18H17ClO6 — CID 17391117

IUPACdimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCCOc2ccccc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C18H17ClO6/c1-22-17(20)12-9-13(18(21)23-2)11-14(10-12)24-7-8-25-16-6-4-3-5-15(16)19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyLDCZHDTUCFIIBC-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.37
Rot. Bonds7

About dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate

dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate (PubChem CID 17391117) has the molecular formula C18H17ClO6 and a molecular weight of 364.78 g/mol. Its IUPAC name is dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate
PubChem CID17391117
Molecular FormulaC18H17ClO6
Molecular Weight364.78 g/mol
Exact Mass364.07
IUPAC Namedimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCCOc2ccccc2Cl)cc(C(=O)OC)c1
InChIInChI=1S/C18H17ClO6/c1-22-17(20)12-9-13(18(21)23-2)11-14(10-12)24-7-8-25-16-6-4-3-5-15(16)19/h3-6,9-11H,7-8H2,1-2H3
InChIKeyLDCZHDTUCFIIBC-UHFFFAOYSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.37
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

dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 3,5-bis(2-chloroethoxy)benzoate
CID 100923076
dimethyl 5-(6-phenylhexoxy)benzene-1,3-dicarboxylate
CID 19930284
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
3-methoxycarbonyl-5-(2-methoxyethoxy)benzoate
CID 170984662
[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 7919222
methyl 3-bromo-4-(2-phenoxyethoxy)benzoate
CID 54793322
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
methyl 3-[2-(2-chlorophenoxy)ethylcarbamothioylamino]benzoate
CID 100749989

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate (CID 17391117) is dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate is COC(=O)c1cc(OCCOc2ccccc2Cl)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate?
The InChIKey is LDCZHDTUCFIIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO6/c1-22-17(20)12-9-13(18(21)23-2)11-14(10-12)24-7-8-25-16-6-4-3-5-15(16)19/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate has a molecular weight of 364.78 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-(2-chlorophenoxy)ethoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 17391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).