2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate

C17H17ClO4 — CID 55386131

IUPAC2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO4/c1-20-12-13-3-2-4-14(11-13)17(19)22-10-9-21-16-7-5-15(18)6-8-16/h2-8,11H,9-10,12H2,1H3
InChIKeyGIOLEWSCJBYRIA-UHFFFAOYSA-N
MW320.77 g/mol
LogP3.72
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate

2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate (PubChem CID 55386131) has the molecular formula C17H17ClO4 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
PubChem CID55386131
Molecular FormulaC17H17ClO4
Molecular Weight320.77 g/mol
Exact Mass320.08
IUPAC Name2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClO4/c1-20-12-13-3-2-4-14(11-13)17(19)22-10-9-21-16-7-5-15(18)6-8-16/h2-8,11H,9-10,12H2,1H3
InChIKeyGIOLEWSCJBYRIA-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)ethyl 3-(methylsulfonylmethyl)benzoate
CID 8836869
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
propyl 3-(methoxymethyl)benzoate
CID 78846700
(4-propoxyphenyl) 3-(methoxymethyl)benzoate
CID 55382877
2-phenoxyethyl 3-[2-(4-chlorophenoxy)acetyl]oxybenzoate
CID 17161814
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(methoxymethyl)benzoate
CID 8923474
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate
CID 17161849
2-(3-ethylphenoxy)ethyl 3-hydroxybenzoate
CID 55318473
2-(4-chlorophenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 26462444
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate (CID 55386131) is 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate?
The InChIKey is GIOLEWSCJBYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4/c1-20-12-13-3-2-4-14(11-13)17(19)22-10-9-21-16-7-5-15(18)6-8-16/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate?
2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate has a molecular weight of 320.77 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate is sourced from PubChem (CID 55386131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).