5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one

C17H14O6 — CID 5352001

IUPAC5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
InChIKeyRJCJVIFSIXKSAH-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one

5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 5352001) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
PubChem CID5352001
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1
InChIInChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
InChIKeyRJCJVIFSIXKSAH-UHFFFAOYSA-N
XLogP2.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one (CID 5352001) is 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1.
What is the InChIKey of 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is RJCJVIFSIXKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3.
What are the key properties of 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one?
5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 314.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).