5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one

C16H14O5 — CID 118870812

IUPAC5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one
SMILESCOc1c(O)cc(O)c2c1OC(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H14O5/c1-20-16-13(19)8-11(17)10-7-12(18)14(21-15(10)16)9-5-3-2-4-6-9/h2-6,8,14,17,19H,7H2,1H3
InChIKeyJOQGKBSUMOIJDZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.35
Rot. Bonds2

About 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one

5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one (PubChem CID 118870812) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one
PubChem CID118870812
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one
SMILESCOc1c(O)cc(O)c2c1OC(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H14O5/c1-20-16-13(19)8-11(17)10-7-12(18)14(21-15(10)16)9-5-3-2-4-6-9/h2-6,8,14,17,19H,7H2,1H3
InChIKeyJOQGKBSUMOIJDZ-UHFFFAOYSA-N
XLogP2.35
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one (CID 118870812) is 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one is COc1c(O)cc(O)c2c1OC(c1ccccc1)C(=O)C2.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one?
The InChIKey is JOQGKBSUMOIJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-16-13(19)8-11(17)10-7-12(18)14(21-15(10)16)9-5-3-2-4-6-9/h2-6,8,14,17,19H,7H2,1H3.
What are the key properties of 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one?
5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one has a molecular weight of 286.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one is sourced from PubChem (CID 118870812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).