2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone

C16H13ClO3 — CID 65350693

IUPAC2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)C1COc2ccccc2O1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,16H,9-10H2
InChIKeyHHDFQFZZJYJYRY-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone

2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone (PubChem CID 65350693) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
PubChem CID65350693
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)C1COc2ccccc2O1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,16H,9-10H2
InChIKeyHHDFQFZZJYJYRY-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65350959
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
2-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 146863052
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(3S)-N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2664671
N'-[2-(4-chlorophenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2788339
(3,4-dichlorophenyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861942
(3S)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7959469
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2867490
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1H-imidazol-2-yl)ethanone
CID 43341170

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone (CID 65350693) is 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone is O=C(Cc1ccc(Cl)cc1)C1COc2ccccc2O1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
The InChIKey is HHDFQFZZJYJYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)9-13(18)16-10-19-14-3-1-2-4-15(14)20-16/h1-8,16H,9-10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone?
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone has a molecular weight of 288.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone is sourced from PubChem (CID 65350693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).