5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one

C12H12O5 — CID 14482774

IUPAC5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
SMILESCOc1c(O)c(C)c2oc(C)cc(=O)c2c1O
InChIInChI=1S/C12H12O5/c1-5-4-7(13)8-10(15)12(16-3)9(14)6(2)11(8)17-5/h4,14-15H,1-3H3
InChIKeyPRGZBQOFSHAQEK-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.83
Rot. Bonds1

About 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one

5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one (PubChem CID 14482774) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
PubChem CID14482774
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
SMILESCOc1c(O)c(C)c2oc(C)cc(=O)c2c1O
InChIInChI=1S/C12H12O5/c1-5-4-7(13)8-10(15)12(16-3)9(14)6(2)11(8)17-5/h4,14-15H,1-3H3
InChIKeyPRGZBQOFSHAQEK-UHFFFAOYSA-N
XLogP1.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one (CID 14482774) is 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one is COc1c(O)c(C)c2oc(C)cc(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one?
The InChIKey is PRGZBQOFSHAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5/c1-5-4-7(13)8-10(15)12(16-3)9(14)6(2)11(8)17-5/h4,14-15H,1-3H3.
What are the key properties of 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one?
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one has a molecular weight of 236.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one is sourced from PubChem (CID 14482774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).