2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

C18H16O7 — CID 5273755

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC
InChIInChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
InChIKeyDRRWBCNQOKKKOL-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.90
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one (PubChem CID 5273755) has the molecular formula C18H16O7 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
PubChem CID5273755
Molecular FormulaC18H16O7
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC
InChIInChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
InChIKeyDRRWBCNQOKKKOL-UHFFFAOYSA-N
XLogP2.90
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one (CID 5273755) is 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one is COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
The InChIKey is DRRWBCNQOKKKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one?
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one has a molecular weight of 344.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one is sourced from PubChem (CID 5273755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).