7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one

C21H13NO4 — CID 139885740

IUPAC7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
SMILESO=C(c1ccncc1)c1coc2cc(Oc3ccccc3)ccc2c1=O
InChIInChI=1S/C21H13NO4/c23-20(14-8-10-22-11-9-14)18-13-25-19-12-16(6-7-17(19)21(18)24)26-15-4-2-1-3-5-15/h1-13H
InChIKeyKZACAVGTQZCKQR-UHFFFAOYSA-N
MW343.34 g/mol
LogP4.21
Rot. Bonds4

About 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one

7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one (PubChem CID 139885740) has the molecular formula C21H13NO4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one.

Molecular Properties

Compound Name7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
PubChem CID139885740
Molecular FormulaC21H13NO4
Molecular Weight343.34 g/mol
Exact Mass343.08
IUPAC Name7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
SMILESO=C(c1ccncc1)c1coc2cc(Oc3ccccc3)ccc2c1=O
InChIInChI=1S/C21H13NO4/c23-20(14-8-10-22-11-9-14)18-13-25-19-12-16(6-7-17(19)21(18)24)26-15-4-2-1-3-5-15/h1-13H
InChIKeyKZACAVGTQZCKQR-UHFFFAOYSA-N
XLogP4.21
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride
CID 139885751
3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one
CID 139885678
3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
3-benzoyl-6-methoxychromen-4-one
CID 747889
[4-oxo-3-(4-phenylphenoxy)chromen-7-yl] pyridine-3-carboxylate
CID 2245682
methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate
CID 139885692
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
2-(4-oxo-3-phenoxychromen-7-yl)oxy-2-phenylacetic acid
CID 20994413
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011
3-(4-fluorobenzoyl)-7-methylchromen-4-one
CID 775952

Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one?
The IUPAC name of 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one (CID 139885740) is 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one.
What is the SMILES notation for 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one?
The canonical SMILES for 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one is O=C(c1ccncc1)c1coc2cc(Oc3ccccc3)ccc2c1=O.
What is the InChIKey of 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one?
The InChIKey is KZACAVGTQZCKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO4/c23-20(14-8-10-22-11-9-14)18-13-25-19-12-16(6-7-17(19)21(18)24)26-15-4-2-1-3-5-15/h1-13H.
What are the key properties of 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one?
7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one has a molecular weight of 343.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one is sourced from PubChem (CID 139885740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).