7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one

C16H14O5 — CID 169447672

IUPAC7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
SMILES[2H]C([2H])([2H])Oc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1
InChIInChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/i1D3
InChIKeyWQCJOKYOIJVEFN-FIBGUPNXSA-N
MW289.30 g/mol
LogP2.47
Rot. Bonds3

About 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one

7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one (PubChem CID 169447672) has the molecular formula C16H14O5 and a molecular weight of 289.30 g/mol. Its IUPAC name is 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
PubChem CID169447672
Molecular FormulaC16H14O5
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
SMILES[2H]C([2H])([2H])Oc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1
InChIInChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/i1D3
InChIKeyWQCJOKYOIJVEFN-FIBGUPNXSA-N
XLogP2.47
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one (CID 169447672) is 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one is [2H]C([2H])([2H])Oc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1.
What is the InChIKey of 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one?
The InChIKey is WQCJOKYOIJVEFN-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/i1D3.
What are the key properties of 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one?
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one has a molecular weight of 289.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169447672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).