cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone

C22H19NO3 — CID 53323331

IUPACcyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(Oc3cccnc3)cc2)cc1)C1CC1
InChIInChI=1S/C22H19NO3/c24-22(17-5-6-17)18-7-11-19(12-8-18)25-15-16-3-9-20(10-4-16)26-21-2-1-13-23-14-21/h1-4,7-14,17H,5-6,15H2
InChIKeyRRGUUCHTMOEGRY-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.05
Rot. Bonds7

About cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone

cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone (PubChem CID 53323331) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone
PubChem CID53323331
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namecyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccc(OCc2ccc(Oc3cccnc3)cc2)cc1)C1CC1
InChIInChI=1S/C22H19NO3/c24-22(17-5-6-17)18-7-11-19(12-8-18)25-15-16-3-9-20(10-4-16)26-21-2-1-13-23-14-21/h1-4,7-14,17H,5-6,15H2
InChIKeyRRGUUCHTMOEGRY-UHFFFAOYSA-N
XLogP5.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone (CID 53323331) is cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone is O=C(c1ccc(OCc2ccc(Oc3cccnc3)cc2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone?
The InChIKey is RRGUUCHTMOEGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(17-5-6-17)18-7-11-19(12-8-18)25-15-16-3-9-20(10-4-16)26-21-2-1-13-23-14-21/h1-4,7-14,17H,5-6,15H2.
What are the key properties of cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone?
cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone has a molecular weight of 345.40 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(4-pyridin-3-yloxyphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 53323331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).