5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

C17H16O6 — CID 24868417

IUPAC5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1c(O)cc(O)c2c1OC(c1ccccc1)C(OC)C2=O
InChIInChI=1S/C17H16O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,14,17-19H,1-2H3
InChIKeyQBLLTJKVRXHDSK-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.44
Rot. Bonds3

About 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 24868417) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID24868417
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1c(O)cc(O)c2c1OC(c1ccccc1)C(OC)C2=O
InChIInChI=1S/C17H16O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,14,17-19H,1-2H3
InChIKeyQBLLTJKVRXHDSK-UHFFFAOYSA-N
XLogP2.44
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one (CID 24868417) is 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one is COc1c(O)cc(O)c2c1OC(c1ccccc1)C(OC)C2=O.
What is the InChIKey of 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is QBLLTJKVRXHDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,14,17-19H,1-2H3.
What are the key properties of 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one?
5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 24868417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).