benzyl 4-(3-ethoxypentoxy)benzoate

C21H26O4 — CID 163788919

IUPACbenzyl 4-(3-ethoxypentoxy)benzoate
SMILESCCOC(CC)CCOc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26O4/c1-3-19(23-4-2)14-15-24-20-12-10-18(11-13-20)21(22)25-16-17-8-6-5-7-9-17/h5-13,19H,3-4,14-16H2,1-2H3
InChIKeyFTDOIIUXIIPYLD-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.63
Rot. Bonds10

About benzyl 4-(3-ethoxypentoxy)benzoate

benzyl 4-(3-ethoxypentoxy)benzoate (PubChem CID 163788919) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is benzyl 4-(3-ethoxypentoxy)benzoate.

Molecular Properties

Compound Namebenzyl 4-(3-ethoxypentoxy)benzoate
PubChem CID163788919
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Namebenzyl 4-(3-ethoxypentoxy)benzoate
SMILESCCOC(CC)CCOc1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H26O4/c1-3-19(23-4-2)14-15-24-20-12-10-18(11-13-20)21(22)25-16-17-8-6-5-7-9-17/h5-13,19H,3-4,14-16H2,1-2H3
InChIKeyFTDOIIUXIIPYLD-UHFFFAOYSA-N
XLogP4.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)methyl benzoate
CID 91595481
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl 4-[3-[methyl(propan-2-yl)amino]propoxy]benzoate
CID 67577954
benzyl 4-[1-(2-methylbutoxy)ethyl]benzoate
CID 57186620
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
benzyl 4-propan-2-yloxybenzoate
CID 70079883
(4-phenylmethoxycarbonylphenyl) 4-(4-octoxyphenyl)benzoate
CID 15468088
benzyl 4-(3-amino-2-methylpropoxy)benzoate;hydrochloride
CID 175789859
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
benzyl 4-acetyloxybenzoate
CID 734064

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-ethoxypentoxy)benzoate?
The IUPAC name of benzyl 4-(3-ethoxypentoxy)benzoate (CID 163788919) is benzyl 4-(3-ethoxypentoxy)benzoate.
What is the SMILES notation for benzyl 4-(3-ethoxypentoxy)benzoate?
The canonical SMILES for benzyl 4-(3-ethoxypentoxy)benzoate is CCOC(CC)CCOc1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-(3-ethoxypentoxy)benzoate?
The InChIKey is FTDOIIUXIIPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-3-19(23-4-2)14-15-24-20-12-10-18(11-13-20)21(22)25-16-17-8-6-5-7-9-17/h5-13,19H,3-4,14-16H2,1-2H3.
What are the key properties of benzyl 4-(3-ethoxypentoxy)benzoate?
benzyl 4-(3-ethoxypentoxy)benzoate has a molecular weight of 342.44 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-ethoxypentoxy)benzoate is sourced from PubChem (CID 163788919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).