6-chloro-7-hydroxy-2,3-dimethylchromen-4-one

C11H9ClO3 — CID 15482447

IUPAC6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
SMILESCc1oc2cc(O)c(Cl)cc2c(=O)c1C
InChIInChI=1S/C11H9ClO3/c1-5-6(2)15-10-4-9(13)8(12)3-7(10)11(5)14/h3-4,13H,1-2H3
InChIKeyHWARGFCPSCKZFZ-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.77
Rot. Bonds

About 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one

6-chloro-7-hydroxy-2,3-dimethylchromen-4-one (PubChem CID 15482447) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one.

Molecular Properties

Compound Name6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
PubChem CID15482447
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name6-chloro-7-hydroxy-2,3-dimethylchromen-4-one
SMILESCc1oc2cc(O)c(Cl)cc2c(=O)c1C
InChIInChI=1S/C11H9ClO3/c1-5-6(2)15-10-4-9(13)8(12)3-7(10)11(5)14/h3-4,13H,1-2H3
InChIKeyHWARGFCPSCKZFZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-hydroxyxanthen-9-one
CID 14663247
6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one
CID 58913613
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
6,7-dihydroxy-3-methyl-4-oxochromene-2-carboxylic acid
CID 53231346
6-chloro-7-hydroxy-3-(2-methylphenyl)chromen-4-one
CID 89325321
3-chloro-2-hydroxyxanthen-9-one
CID 15617016
5-ethyl-2,3-dimethyl-1-benzofuran-6-ol
CID 130033144
8-hydroxy-2,3,6-trimethylchromen-4-one
CID 121010232
sodium;2,3-dimethyl-4-oxochromene-6-sulfonic acid;hydride
CID 173352072
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
2,3,6,7-tetramethylfuro[2,3-f][1]benzofuran
CID 170670996
[(1S)-1-carboxy-2-(6-chloro-7-hydroxy-2-oxochromen-4-yl)ethyl]azanium
CID 102072648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one?
The IUPAC name of 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one (CID 15482447) is 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one.
What is the SMILES notation for 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one?
The canonical SMILES for 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one is Cc1oc2cc(O)c(Cl)cc2c(=O)c1C.
What is the InChIKey of 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one?
The InChIKey is HWARGFCPSCKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-5-6(2)15-10-4-9(13)8(12)3-7(10)11(5)14/h3-4,13H,1-2H3.
What are the key properties of 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one?
6-chloro-7-hydroxy-2,3-dimethylchromen-4-one has a molecular weight of 224.64 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-hydroxy-2,3-dimethylchromen-4-one is sourced from PubChem (CID 15482447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).