2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate

C25H22O6 — CID 9118244

IUPAC2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H22O6/c1-28-19-9-6-17(7-10-19)12-13-31-25(27)21-5-3-2-4-20(21)24(26)18-8-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3
InChIKeyILOZGYSGPDFYNE-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.10
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate

2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate (PubChem CID 9118244) has the molecular formula C25H22O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
PubChem CID9118244
Molecular FormulaC25H22O6
Molecular Weight418.45 g/mol
Exact Mass418.14
IUPAC Name2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
SMILESCOc1ccc(CCOC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H22O6/c1-28-19-9-6-17(7-10-19)12-13-31-25(27)21-5-3-2-4-20(21)24(26)18-8-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3
InChIKeyILOZGYSGPDFYNE-UHFFFAOYSA-N
XLogP4.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 2626499
[2-(diethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 7456986
(2-oxo-2-propan-2-yloxyethyl) 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 35525952
ethyl 2-(1,3-benzodioxole-5-carbonyl)benzoate
CID 132515397
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 35792986
methyl 4-[2-[6-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]benzoate
CID 170457379
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 8656476
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 2626623
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 13263263
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 40833885

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate (CID 9118244) is 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate is COc1ccc(CCOC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate?
The InChIKey is ILOZGYSGPDFYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O6/c1-28-19-9-6-17(7-10-19)12-13-31-25(27)21-5-3-2-4-20(21)24(26)18-8-11-22-23(16-18)30-15-14-29-22/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate?
2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate has a molecular weight of 418.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate is sourced from PubChem (CID 9118244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).