5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one

C22H17NO6 — CID 142681777

IUPAC5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one
SMILESCOc1ccc(COc2cc(O)c3c(=O)cc(Oc4ccncc4)oc3c2)cc1
InChIInChI=1S/C22H17NO6/c1-26-15-4-2-14(3-5-15)13-27-17-10-18(24)22-19(25)12-21(29-20(22)11-17)28-16-6-8-23-9-7-16/h2-12,24H,13H2,1H3
InChIKeyCPACDWBPKDKMDX-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.27
Rot. Bonds6

About 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one

5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one (PubChem CID 142681777) has the molecular formula C22H17NO6 and a molecular weight of 391.38 g/mol. Its IUPAC name is 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one
PubChem CID142681777
Molecular FormulaC22H17NO6
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one
SMILESCOc1ccc(COc2cc(O)c3c(=O)cc(Oc4ccncc4)oc3c2)cc1
InChIInChI=1S/C22H17NO6/c1-26-15-4-2-14(3-5-15)13-27-17-10-18(24)22-19(25)12-21(29-20(22)11-17)28-16-6-8-23-9-7-16/h2-12,24H,13H2,1H3
InChIKeyCPACDWBPKDKMDX-UHFFFAOYSA-N
XLogP4.27
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one
CID 150397012
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
2-benzyl-5-hydroxy-7-methoxychromen-4-one
CID 11822088
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one
CID 15288797
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
CID 11180161
1-[4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-one
CID 160513371
5-hydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one
CID 15559079

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one?
The IUPAC name of 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one (CID 142681777) is 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one?
The canonical SMILES for 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one is COc1ccc(COc2cc(O)c3c(=O)cc(Oc4ccncc4)oc3c2)cc1.
What is the InChIKey of 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one?
The InChIKey is CPACDWBPKDKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO6/c1-26-15-4-2-14(3-5-15)13-27-17-10-18(24)22-19(25)12-21(29-20(22)11-17)28-16-6-8-23-9-7-16/h2-12,24H,13H2,1H3.
What are the key properties of 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one?
5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one has a molecular weight of 391.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-pyridin-4-yloxychromen-4-one is sourced from PubChem (CID 142681777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).