2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

C16H13ClO3 — CID 61078419

IUPAC2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H13ClO3/c17-12-6-4-11(5-7-12)10-14(18)13-2-1-3-15-16(13)20-9-8-19-15/h1-7H,8-10H2
InChIKeyKBNOYAGGHFTMKN-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (PubChem CID 61078419) 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-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
PubChem CID61078419
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cccc2c1OCCO2
InChIInChI=1S/C16H13ClO3/c17-12-6-4-11(5-7-12)10-14(18)13-2-1-3-15-16(13)20-9-8-19-15/h1-7H,8-10H2
InChIKeyKBNOYAGGHFTMKN-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105135675
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105412185
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-chlorophenyl)ethanone
CID 43340567
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-thiophen-2-ylethanone
CID 61056888
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105128880
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90363736
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione
CID 90363742
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062740
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120682
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62087219
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90363738

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone (CID 61078419) is 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone is O=C(Cc1ccc(Cl)cc1)c1cccc2c1OCCO2.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
The InChIKey is KBNOYAGGHFTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-6-4-11(5-7-12)10-14(18)13-2-1-3-15-16(13)20-9-8-19-15/h1-7H,8-10H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone?
2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone has a molecular weight of 288.73 g/mol, XLogP of 3.54, 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-5-yl)ethanone is sourced from PubChem (CID 61078419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).