7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one

C29H25NO5 — CID 156870991

IUPAC7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(COc2ccc(C(Oc3ccc4c(c3)OCCC4=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C29H25NO5/c1-32-23-6-2-20(3-7-23)19-34-24-8-4-21(5-9-24)29(22-12-15-30-16-13-22)35-25-10-11-26-27(31)14-17-33-28(26)18-25/h2-13,15-16,18,29H,14,17,19H2,1H3
InChIKeyGJPODORIJHQQJU-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.80
Rot. Bonds8

About 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one

7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one (PubChem CID 156870991) has the molecular formula C29H25NO5 and a molecular weight of 467.52 g/mol. Its IUPAC name is 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
PubChem CID156870991
Molecular FormulaC29H25NO5
Molecular Weight467.52 g/mol
Exact Mass467.17
IUPAC Name7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
SMILESCOc1ccc(COc2ccc(C(Oc3ccc4c(c3)OCCC4=O)c3ccncc3)cc2)cc1
InChIInChI=1S/C29H25NO5/c1-32-23-6-2-20(3-7-23)19-34-24-8-4-21(5-9-24)29(22-12-15-30-16-13-22)35-25-10-11-26-27(31)14-17-33-28(26)18-25/h2-13,15-16,18,29H,14,17,19H2,1H3
InChIKeyGJPODORIJHQQJU-UHFFFAOYSA-N
XLogP5.80
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870805
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871515
4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856798
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide
CID 156870979
4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 175856874
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
7-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 69455047
4-[[2-(benzhydrylideneamino)-4-pyridinyl]-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 168740789
4-[(R)-(4-oxo-6-phenyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856879
7-[(1S,3Z,5E)-6-hydroxy-2-methylidene-1-pyridin-4-ylhepta-3,5-dienoxy]-2,3-dihydrochromen-4-one
CID 170181649
4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
CID 156871240
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one (CID 156870991) is 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one is COc1ccc(COc2ccc(C(Oc3ccc4c(c3)OCCC4=O)c3ccncc3)cc2)cc1.
What is the InChIKey of 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
The InChIKey is GJPODORIJHQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5/c1-32-23-6-2-20(3-7-23)19-34-24-8-4-21(5-9-24)29(22-12-15-30-16-13-22)35-25-10-11-26-27(31)14-17-33-28(26)18-25/h2-13,15-16,18,29H,14,17,19H2,1H3.
What are the key properties of 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one?
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one has a molecular weight of 467.52 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156870991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).