2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone

C15H14O3S — CID 43338852

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)C2COc3ccccc3O2)s1
InChIInChI=1S/C15H14O3S/c1-2-10-7-8-14(19-10)15(16)13-9-17-11-5-3-4-6-12(11)18-13/h3-8,13H,2,9H2,1H3
InChIKeyCYRUUKZTMSYIFI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.33
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone (PubChem CID 43338852) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
PubChem CID43338852
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)C2COc3ccccc3O2)s1
InChIInChI=1S/C15H14O3S/c1-2-10-7-8-14(19-10)15(16)13-9-17-11-5-3-4-6-12(11)18-13/h3-8,13H,2,9H2,1H3
InChIKeyCYRUUKZTMSYIFI-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 102826493
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-ethylpentan-1-one
CID 82919719
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanone
CID 81331029
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43344746
(3S)-N-[(2S)-pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 956466

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone (CID 43338852) is 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)C2COc3ccccc3O2)s1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone?
The InChIKey is CYRUUKZTMSYIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-2-10-7-8-14(19-10)15(16)13-9-17-11-5-3-4-6-12(11)18-13/h3-8,13H,2,9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone has a molecular weight of 274.34 g/mol, XLogP of 3.33, 3 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-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 43338852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).