2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

C21H24O6 — CID 55324017

IUPAC2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESCCCOc1ccc(OCCOC(=O)Cc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H24O6/c1-2-9-23-17-4-6-18(7-5-17)24-10-13-27-21(22)15-16-3-8-19-20(14-16)26-12-11-25-19/h3-8,14H,2,9-13,15H2,1H3
InChIKeyJPWVHNINSCGTPX-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.41
Rot. Bonds9

About 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (PubChem CID 55324017) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
PubChem CID55324017
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESCCCOc1ccc(OCCOC(=O)Cc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C21H24O6/c1-2-9-23-17-4-6-18(7-5-17)24-10-13-27-21(22)15-16-3-8-19-20(14-16)26-12-11-25-19/h3-8,14H,2,9-13,15H2,1H3
InChIKeyJPWVHNINSCGTPX-UHFFFAOYSA-N
XLogP3.41
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324018
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403
1-(1,3-benzodioxol-5-yl)-3-(4-propoxyphenyl)propan-1-one
CID 53415848
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918677
2-(4-propoxyphenoxy)ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55322667
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 18159237
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24548378
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenoxyethyl)acetamide
CID 26903201
(2,5-dimethylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324270
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxybenzoate
CID 5214239
(4-propoxyphenyl) 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 55364102
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8655644

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The IUPAC name of 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (CID 55324017) is 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.
What is the SMILES notation for 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The canonical SMILES for 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is CCCOc1ccc(OCCOC(=O)Cc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The InChIKey is JPWVHNINSCGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-2-9-23-17-4-6-18(7-5-17)24-10-13-27-21(22)15-16-3-8-19-20(14-16)26-12-11-25-19/h3-8,14H,2,9-13,15H2,1H3.
What are the key properties of 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate has a molecular weight of 372.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is sourced from PubChem (CID 55324017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).