2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone

C17H16O4 — CID 65351114

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H16O4/c1-2-19-13-8-4-3-7-12(13)17(18)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3
InChIKeyBPUVDSZXKMGCDE-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.11
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone (PubChem CID 65351114) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
PubChem CID65351114
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H16O4/c1-2-19-13-8-4-3-7-12(13)17(18)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3
InChIKeyBPUVDSZXKMGCDE-UHFFFAOYSA-N
XLogP3.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,5-diethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 857312
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7433078
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135897345
(3S)-N-[2-(4-ethoxyphenoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8873811
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
CID 43338852
N'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-2-ethoxypyridine-3-carbohydrazide
CID 7936972
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 42319089
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
CID 43214838
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43344746
(3S)-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94633935
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone (CID 65351114) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone?
The InChIKey is BPUVDSZXKMGCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-2-19-13-8-4-3-7-12(13)17(18)16-11-20-14-9-5-6-10-15(14)21-16/h3-10,16H,2,11H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone has a molecular weight of 284.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 65351114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).