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

C17H16O3 — CID 65350957

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H16O3/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16H,10H2,1-2H3
InChIKeyKDVCYCXUHBGRDH-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone (PubChem CID 65350957) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
PubChem CID65350957
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H16O3/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16H,10H2,1-2H3
InChIKeyKDVCYCXUHBGRDH-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-3-methylphenyl)methanone
CID 65351117
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161080
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
(4-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 102826493
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
CID 43338535
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
(3S)-N-(2-chloro-4,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731678
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
CID 43338852

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone (CID 65350957) is 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone?
The InChIKey is KDVCYCXUHBGRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 65350957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).