[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

C23H16O7 — CID 3491095

IUPAC[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESCc1ccc2oc(-c3ccco3)c(OC(=O)C3COc4ccccc4O3)c(=O)c2c1
InChIInChI=1S/C23H16O7/c1-13-8-9-15-14(11-13)20(24)22(21(29-15)18-7-4-10-26-18)30-23(25)19-12-27-16-5-2-3-6-17(16)28-19/h2-11,19H,12H2,1H3
InChIKeyPXKYGOUNWMAJMA-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.11
Rot. Bonds3

About [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate (PubChem CID 3491095) has the molecular formula C23H16O7 and a molecular weight of 404.37 g/mol. Its IUPAC name is [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
PubChem CID3491095
Molecular FormulaC23H16O7
Molecular Weight404.37 g/mol
Exact Mass404.09
IUPAC Name[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESCc1ccc2oc(-c3ccco3)c(OC(=O)C3COc4ccccc4O3)c(=O)c2c1
InChIInChI=1S/C23H16O7/c1-13-8-9-15-14(11-13)20(24)22(21(29-15)18-7-4-10-26-18)30-23(25)19-12-27-16-5-2-3-6-17(16)28-19/h2-11,19H,12H2,1H3
InChIKeyPXKYGOUNWMAJMA-UHFFFAOYSA-N
XLogP4.11
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate with MolForge

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Related Compounds

2-(furan-2-yl)-6-methyl-4-oxochromene-3-carboxylic acid
CID 138561977
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 5059337
[2-methyl-4-(4-methylphenyl)phenyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2448069
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
CID 1409502
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
(2,5-dimethylphenyl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2614679
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
naphthalen-2-yl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7926832

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate (CID 3491095) is [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate is Cc1ccc2oc(-c3ccco3)c(OC(=O)C3COc4ccccc4O3)c(=O)c2c1.
What is the InChIKey of [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The InChIKey is PXKYGOUNWMAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O7/c1-13-8-9-15-14(11-13)20(24)22(21(29-15)18-7-4-10-26-18)30-23(25)19-12-27-16-5-2-3-6-17(16)28-19/h2-11,19H,12H2,1H3.
What are the key properties of [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
[2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate has a molecular weight of 404.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6-methyl-4-oxochromen-3-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate is sourced from PubChem (CID 3491095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).