2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone

C19H14O4 — CID 168528341

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H14O4/c20-19(15-6-7-17-18(12-15)23-10-9-22-17)14-4-1-3-13(11-14)16-5-2-8-21-16/h1-8,11-12H,9-10H2
InChIKeyMDRNSQDBRBNAPZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.95
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone (PubChem CID 168528341) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
PubChem CID168528341
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H14O4/c20-19(15-6-7-17-18(12-15)23-10-9-22-17)14-4-1-3-13(11-14)16-5-2-8-21-16/h1-8,11-12H,9-10H2
InChIKeyMDRNSQDBRBNAPZ-UHFFFAOYSA-N
XLogP3.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
2,3-dihydro-1,4-benzodioxin-6-yl-(3-pyrrolidin-1-ylphenyl)methanone
CID 168515445
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrrol-2-yl)methanone
CID 63750334
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
(4-bromophenyl)-[7-(furan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
CID 168527511
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 175580971
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
CID 43462591
1,3-benzodioxol-5-yl-[3-(methylamino)phenyl]methanone
CID 116917301
2-(3-benzoylanilino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110823946

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone (CID 168528341) is 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone is O=C(c1cccc(-c2ccco2)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone?
The InChIKey is MDRNSQDBRBNAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-19(15-6-7-17-18(12-15)23-10-9-22-17)14-4-1-3-13(11-14)16-5-2-8-21-16/h1-8,11-12H,9-10H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone has a molecular weight of 306.32 g/mol, XLogP of 3.95, 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-6-yl-[3-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 168528341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).