ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate

C15H22O5 — CID 103408920

IUPACethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCCOCCOC)cc1
InChIInChI=1S/C15H22O5/c1-3-19-15(16)13-5-7-14(8-6-13)20-10-4-9-18-12-11-17-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPGIMXLBQWFYMAH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.30
Rot. Bonds10

About ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate

ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate (PubChem CID 103408920) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
PubChem CID103408920
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCCOCCOC)cc1
InChIInChI=1S/C15H22O5/c1-3-19-15(16)13-5-7-14(8-6-13)20-10-4-9-18-12-11-17-2/h5-8H,3-4,9-12H2,1-2H3
InChIKeyPGIMXLBQWFYMAH-UHFFFAOYSA-N
XLogP2.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.30
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

ethyl 4-(2-octoxyethoxy)benzoate
CID 10064743
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-(3-fluoropropoxy)benzoate
CID 81106633
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
ethyl 4-decoxybenzoate
CID 3706251
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
2-methoxyethyl 4-decoxybenzoate
CID 54021370
ethyl 4-(4-pentoxyphenyl)benzoate
CID 70928367
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
6-(4-ethoxycarbonylphenoxy)hexylboronic acid
CID 71507401

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate?
The IUPAC name of ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate (CID 103408920) is ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate?
The canonical SMILES for ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate is CCOC(=O)c1ccc(OCCCOCCOC)cc1.
What is the InChIKey of ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate?
The InChIKey is PGIMXLBQWFYMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-19-15(16)13-5-7-14(8-6-13)20-10-4-9-18-12-11-17-2/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate?
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate has a molecular weight of 282.34 g/mol, XLogP of 2.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate is sourced from PubChem (CID 103408920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).