6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one

C18H13ClO5 — CID 58913613

IUPAC6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)c(Cl)cc2c(=O)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H13ClO5/c1-9-17(10-2-3-14-16(6-10)23-5-4-22-14)18(21)11-7-12(19)13(20)8-15(11)24-9/h2-3,6-8,20H,4-5H2,1H3
InChIKeyHJLQKYDBBCPGCL-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.90
Rot. Bonds1

About 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one

6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one (PubChem CID 58913613) has the molecular formula C18H13ClO5 and a molecular weight of 344.75 g/mol. Its IUPAC name is 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one
PubChem CID58913613
Molecular FormulaC18H13ClO5
Molecular Weight344.75 g/mol
Exact Mass344.05
IUPAC Name6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2cc(O)c(Cl)cc2c(=O)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H13ClO5/c1-9-17(10-2-3-14-16(6-10)23-5-4-22-14)18(21)11-7-12(19)13(20)8-15(11)24-9/h2-3,6-8,20H,4-5H2,1H3
InChIKeyHJLQKYDBBCPGCL-UHFFFAOYSA-N
XLogP3.90
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2-chlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methylchromen-4-one
CID 4627344
6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
CID 15482447
7-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one
CID 4627839
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 1050259
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 2-bromobenzoate
CID 4630043
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 4-chlorobenzoate
CID 4629565
8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-methyl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 984023
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-7-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy]chromen-4-one
CID 7154958
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(4-fluorophenyl)methoxy]-2-methyl-6-propylchromen-4-one
CID 2024211
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] pyrrolidin-1-ium-2-carboxylate
CID 3825117
2-[3-(1,3-benzodioxol-5-yl)-2-methyl-4-oxo-6-propan-2-ylchromen-7-yl]oxyacetic acid
CID 23760883
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-fluorophenyl)methoxy]-2-methylchromen-4-one
CID 4628126

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one (CID 58913613) is 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one is Cc1oc2cc(O)c(Cl)cc2c(=O)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one?
The InChIKey is HJLQKYDBBCPGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO5/c1-9-17(10-2-3-14-16(6-10)23-5-4-22-14)18(21)11-7-12(19)13(20)8-15(11)24-9/h2-3,6-8,20H,4-5H2,1H3.
What are the key properties of 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one?
6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one has a molecular weight of 344.75 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 58913613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).