3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C16H12O7 — CID 5281654

IUPAC3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
InChIKeyIZQSVPBOUDKVDZ-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.29
Rot. Bonds2

About 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (PubChem CID 5281654) has the molecular formula C16H12O7 and a molecular weight of 316.27 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
PubChem CID5281654
Molecular FormulaC16H12O7
Molecular Weight316.27 g/mol
Exact Mass316.06
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
InChIKeyIZQSVPBOUDKVDZ-UHFFFAOYSA-N
XLogP2.29
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one (CID 5281654) is 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O.
What is the InChIKey of 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
The InChIKey is IZQSVPBOUDKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3.
What are the key properties of 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one?
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one has a molecular weight of 316.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 5281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).