5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one

C19H20O6 — CID 46195373

IUPAC5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2COc3c(OC)c(O)c(C)c(O)c3C2=O)cc1
InChIInChI=1S/C19H20O6/c1-10-15(20)14-17(22)12(8-11-4-6-13(23-2)7-5-11)9-25-18(14)19(24-3)16(10)21/h4-7,12,20-21H,8-9H2,1-3H3
InChIKeyRPWMHBQEUCKBPH-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.86
Rot. Bonds4

About 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one

5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 46195373) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one
PubChem CID46195373
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(CC2COc3c(OC)c(O)c(C)c(O)c3C2=O)cc1
InChIInChI=1S/C19H20O6/c1-10-15(20)14-17(22)12(8-11-4-6-13(23-2)7-5-11)9-25-18(14)19(24-3)16(10)21/h4-7,12,20-21H,8-9H2,1-3H3
InChIKeyRPWMHBQEUCKBPH-UHFFFAOYSA-N
XLogP2.86
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one (CID 46195373) is 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one is COc1ccc(CC2COc3c(OC)c(O)c(C)c(O)c3C2=O)cc1.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is RPWMHBQEUCKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-10-15(20)14-17(22)12(8-11-4-6-13(23-2)7-5-11)9-25-18(14)19(24-3)16(10)21/h4-7,12,20-21H,8-9H2,1-3H3.
What are the key properties of 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one?
5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 344.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 46195373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).