methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate

C16H24O5 — CID 157191874

IUPACmethyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
SMILESCCCOCCOCCOCc1cccc(C(=O)OC)c1
InChIInChI=1S/C16H24O5/c1-3-7-19-8-9-20-10-11-21-13-14-5-4-6-15(12-14)16(17)18-2/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyFQLVTHWXKLPEMR-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.43
Rot. Bonds11

About methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate

methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate (PubChem CID 157191874) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
PubChem CID157191874
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Namemethyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate
SMILESCCCOCCOCCOCc1cccc(C(=O)OC)c1
InChIInChI=1S/C16H24O5/c1-3-7-19-8-9-20-10-11-21-13-14-5-4-6-15(12-14)16(17)18-2/h4-6,12H,3,7-11,13H2,1-2H3
InChIKeyFQLVTHWXKLPEMR-UHFFFAOYSA-N
XLogP2.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]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

methyl 3-propylbenzoate
CID 12861009
propyl 3-(methoxymethoxymethyl)benzoate
CID 174489069
methyl 3-[2-(2-methylpropylamino)ethoxymethyl]benzoate
CID 176845562
1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
CID 162210994
propyl 3-(methoxymethyl)benzoate
CID 78846700
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
CID 82353189
methyl 3-(2-piperazin-1-ylethoxymethyl)benzoate
CID 82353020
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
propyl 3-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353227
ethyl 3-[2-(ethylamino)ethoxymethyl]benzoate
CID 82353102
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
methyl 3-(2-aminoethyl)benzoate
CID 10511548

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate?
The IUPAC name of methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate (CID 157191874) is methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate.
What is the SMILES notation for methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate?
The canonical SMILES for methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate is CCCOCCOCCOCc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate?
The InChIKey is FQLVTHWXKLPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-3-7-19-8-9-20-10-11-21-13-14-5-4-6-15(12-14)16(17)18-2/h4-6,12H,3,7-11,13H2,1-2H3.
What are the key properties of methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate?
methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate has a molecular weight of 296.36 g/mol, XLogP of 2.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-propoxyethoxy)ethoxymethyl]benzoate is sourced from PubChem (CID 157191874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).