5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one

C19H18O8 — CID 5315263

IUPAC5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKeyPJQLSMYMOKWUJG-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.91
Rot. Bonds5

About 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one (PubChem CID 5315263) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
PubChem CID5315263
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKeyPJQLSMYMOKWUJG-UHFFFAOYSA-N
XLogP2.91
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Myricetin
CID 5281672
Diosmetin
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Silibinin
CID 31553
Epigallocatechin Gallate
CID 65064
Hesperetin
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(+)-Dihydromyricetin
CID 161557
Luteolin
CID 5280445

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one (CID 5315263) is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one is COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O.
What is the InChIKey of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
The InChIKey is PJQLSMYMOKWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3.
What are the key properties of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one?
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one has a molecular weight of 374.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one is sourced from PubChem (CID 5315263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).