2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate

C20H24O5 — CID 140648608

IUPAC2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
SMILESCCc1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O5/c1-4-16-5-9-19(10-6-16)25-15(2)23-13-14-24-20(21)17-7-11-18(22-3)12-8-17/h5-12,15H,4,13-14H2,1-3H3
InChIKeyHRGMBNDPFVUAQP-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.86
Rot. Bonds9

About 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate

2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate (PubChem CID 140648608) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate.

Molecular Properties

Compound Name2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
PubChem CID140648608
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
SMILESCCc1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O5/c1-4-16-5-9-19(10-6-16)25-15(2)23-13-14-24-20(21)17-7-11-18(22-3)12-8-17/h5-12,15H,4,13-14H2,1-3H3
InChIKeyHRGMBNDPFVUAQP-UHFFFAOYSA-N
XLogP3.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate 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-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl 4-methoxybenzoate
CID 123920896
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
3-(2-methylbutanoyloxy)propyl 4-(1-ethoxyethoxy)benzoate
CID 118099525
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
2-propan-2-yloxyethyl 4-ethoxybenzoate
CID 78790018
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
CID 58185940
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
icosyl 4-methoxybenzoate
CID 71438594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate?
The IUPAC name of 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate (CID 140648608) is 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate.
What is the SMILES notation for 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate?
The canonical SMILES for 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate is CCc1ccc(OC(C)OCCOC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate?
The InChIKey is HRGMBNDPFVUAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-4-16-5-9-19(10-6-16)25-15(2)23-13-14-24-20(21)17-7-11-18(22-3)12-8-17/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate?
2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate has a molecular weight of 344.41 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate is sourced from PubChem (CID 140648608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).