4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one

C17H17NO2 — CID 117051630

IUPAC4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C17H17NO2/c19-15-5-9-17(10-6-15)20-16-7-3-13(4-8-16)14-2-1-11-18-12-14/h1-4,7-8,11-12,17H,5-6,9-10H2
InChIKeyGFYXDEPNBMPGSC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds3

About 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one

4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one (PubChem CID 117051630) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
PubChem CID117051630
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C17H17NO2/c19-15-5-9-17(10-6-15)20-16-7-3-13(4-8-16)14-2-1-11-18-12-14/h1-4,7-8,11-12,17H,5-6,9-10H2
InChIKeyGFYXDEPNBMPGSC-UHFFFAOYSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one?
The IUPAC name of 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one (CID 117051630) is 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one?
The canonical SMILES for 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one is O=C1CCC(Oc2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one?
The InChIKey is GFYXDEPNBMPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-15-5-9-17(10-6-15)20-16-7-3-13(4-8-16)14-2-1-11-18-12-14/h1-4,7-8,11-12,17H,5-6,9-10H2.
What are the key properties of 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one?
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 117051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).