2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one

C23H14O5 — CID 14385989

IUPAC2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one
SMILESO=C(c1ccccc1)c1c(-c2ccc3c(c2)OCO3)oc2ccccc2c1=O
InChIInChI=1S/C23H14O5/c24-21(14-6-2-1-3-7-14)20-22(25)16-8-4-5-9-17(16)28-23(20)15-10-11-18-19(12-15)27-13-26-18/h1-12H,13H2
InChIKeyLJJQIOFZZIFPGG-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.42
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one

2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one (PubChem CID 14385989) has the molecular formula C23H14O5 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one
PubChem CID14385989
Molecular FormulaC23H14O5
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one
SMILESO=C(c1ccccc1)c1c(-c2ccc3c(c2)OCO3)oc2ccccc2c1=O
InChIInChI=1S/C23H14O5/c24-21(14-6-2-1-3-7-14)20-22(25)16-8-4-5-9-17(16)28-23(20)15-10-11-18-19(12-15)27-13-26-18/h1-12H,13H2
InChIKeyLJJQIOFZZIFPGG-UHFFFAOYSA-N
XLogP4.42
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(1,3-benzodioxol-5-yl)chromen-4-one
CID 86100284
[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol
CID 11380149
[4-(1,3-benzodioxol-5-yl)-3,5-dihydroxyphenyl]-phenylmethanone
CID 162666599
N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-4-tert-butylbenzamide
CID 4909608
[4-(1,3-benzodioxol-5-yl)-2-phenyl-5-(phenylsulfanylmethyl)furan-3-yl]-phenylmethanone
CID 46930485
7-amino-2-(1,3-benzodioxol-5-yl)-3-hydroxychromen-4-one
CID 142651080
2-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one
CID 127252711
3-(cyclohexylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-one
CID 13349163
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxofuro[3,2-c]chromen-3-yl]acetic acid
CID 125427913
5-(3-methyl-4-oxochromen-2-yl)-1,3-benzodioxole-2-carboxylic acid
CID 10336351
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
CID 5466137

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one (CID 14385989) is 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one is O=C(c1ccccc1)c1c(-c2ccc3c(c2)OCO3)oc2ccccc2c1=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one?
The InChIKey is LJJQIOFZZIFPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O5/c24-21(14-6-2-1-3-7-14)20-22(25)16-8-4-5-9-17(16)28-23(20)15-10-11-18-19(12-15)27-13-26-18/h1-12H,13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one?
2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one has a molecular weight of 370.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-benzoylchromen-4-one is sourced from PubChem (CID 14385989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).