2-propoxyethyl 4-ethoxy-3-methylbenzoate

C15H22O4 — CID 86939194

IUPAC2-propoxyethyl 4-ethoxy-3-methylbenzoate
SMILESCCCOCCOC(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C15H22O4/c1-4-8-17-9-10-19-15(16)13-6-7-14(18-5-2)12(3)11-13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyPELDHTKWLCULDC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.98
Rot. Bonds8

About 2-propoxyethyl 4-ethoxy-3-methylbenzoate

2-propoxyethyl 4-ethoxy-3-methylbenzoate (PubChem CID 86939194) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-propoxyethyl 4-ethoxy-3-methylbenzoate.

Molecular Properties

Compound Name2-propoxyethyl 4-ethoxy-3-methylbenzoate
PubChem CID86939194
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-propoxyethyl 4-ethoxy-3-methylbenzoate
SMILESCCCOCCOC(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C15H22O4/c1-4-8-17-9-10-19-15(16)13-6-7-14(18-5-2)12(3)11-13/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyPELDHTKWLCULDC-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanylethyl 4-ethoxy-3-methylbenzoate
CID 86939184
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-ethoxy-3-methylbenzoate
CID 86939183
ethyl 3,4-diethoxybenzoate
CID 586407
2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
CID 130428070
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
2-(2-acetyloxyethoxy)ethyl 3,4-dimethylbenzoate
CID 130399817
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
dodecyl 4-methoxy-3-methylbenzoate
CID 54385488

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-ethoxy-3-methylbenzoate?
The IUPAC name of 2-propoxyethyl 4-ethoxy-3-methylbenzoate (CID 86939194) is 2-propoxyethyl 4-ethoxy-3-methylbenzoate.
What is the SMILES notation for 2-propoxyethyl 4-ethoxy-3-methylbenzoate?
The canonical SMILES for 2-propoxyethyl 4-ethoxy-3-methylbenzoate is CCCOCCOC(=O)c1ccc(OCC)c(C)c1.
What is the InChIKey of 2-propoxyethyl 4-ethoxy-3-methylbenzoate?
The InChIKey is PELDHTKWLCULDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-8-17-9-10-19-15(16)13-6-7-14(18-5-2)12(3)11-13/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 2-propoxyethyl 4-ethoxy-3-methylbenzoate?
2-propoxyethyl 4-ethoxy-3-methylbenzoate has a molecular weight of 266.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-ethoxy-3-methylbenzoate is sourced from PubChem (CID 86939194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).