6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one

C17H15NO5 — CID 46843175

IUPAC6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one
SMILESCOc1cc(OC)c2occ(-c3ccc(OC)nc3)c(=O)c2c1
InChIInChI=1S/C17H15NO5/c1-20-11-6-12-16(19)13(9-23-17(12)14(7-11)21-2)10-4-5-15(22-3)18-8-10/h4-9H,1-3H3
InChIKeyJSUKOJZALFDNOI-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.88
Rot. Bonds4

About 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one

6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one (PubChem CID 46843175) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one
PubChem CID46843175
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one
SMILESCOc1cc(OC)c2occ(-c3ccc(OC)nc3)c(=O)c2c1
InChIInChI=1S/C17H15NO5/c1-20-11-6-12-16(19)13(9-23-17(12)14(7-11)21-2)10-4-5-15(22-3)18-8-10/h4-9H,1-3H3
InChIKeyJSUKOJZALFDNOI-UHFFFAOYSA-N
XLogP2.88
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-6,8-dimethoxychromen-4-one
CID 130131544
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 14044483
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 134691567
8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 156580914
7-methoxy-3-(4-methoxyphenyl)-6-methylchromen-4-one
CID 57363360
2-[4-(7,8-dimethoxy-4-oxochromen-3-yl)phenoxy]acetic acid
CID 54135854
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
2-(2,3-dihydroxyphenyl)-3-hydroxy-6,8-dimethoxychromen-4-one
CID 69119541
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one?
The IUPAC name of 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one (CID 46843175) is 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one.
What is the SMILES notation for 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one?
The canonical SMILES for 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one is COc1cc(OC)c2occ(-c3ccc(OC)nc3)c(=O)c2c1.
What is the InChIKey of 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one?
The InChIKey is JSUKOJZALFDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-20-11-6-12-16(19)13(9-23-17(12)14(7-11)21-2)10-4-5-15(22-3)18-8-10/h4-9H,1-3H3.
What are the key properties of 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one?
6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one has a molecular weight of 313.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one is sourced from PubChem (CID 46843175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).