1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone

C16H12O4 — CID 43338483

IUPAC1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12O4/c17-16(11-1-3-13-10(7-11)5-6-18-13)12-2-4-14-15(8-12)20-9-19-14/h1-4,7-8H,5-6,9H2
InChIKeyQTVHPSCMSPZSSB-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.58
Rot. Bonds2

About 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone

1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43338483) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43338483
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H12O4/c17-16(11-1-3-13-10(7-11)5-6-18-13)12-2-4-14-15(8-12)20-9-19-14/h1-4,7-8H,5-6,9H2
InChIKeyQTVHPSCMSPZSSB-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200881
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43338483) is 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is QTVHPSCMSPZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-16(11-1-3-13-10(7-11)5-6-18-13)12-2-4-14-15(8-12)20-9-19-14/h1-4,7-8H,5-6,9H2.
What are the key properties of 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone?
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 268.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43338483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).