1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one

C30H29NO2 — CID 161218942

IUPAC1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
SMILESO=C(CCc1ccc(CCOc2ccccc2-c2ccccc2)cc1)CCc1cccnc1
InChIInChI=1S/C30H29NO2/c32-28(19-17-26-7-6-21-31-23-26)18-16-24-12-14-25(15-13-24)20-22-33-30-11-5-4-10-29(30)27-8-2-1-3-9-27/h1-15,21,23H,16-20,22H2
InChIKeyPUZMUPKFGXLFHE-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.50
Rot. Bonds11

About 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one

1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one (PubChem CID 161218942) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one.

Molecular Properties

Compound Name1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
PubChem CID161218942
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
SMILESO=C(CCc1ccc(CCOc2ccccc2-c2ccccc2)cc1)CCc1cccnc1
InChIInChI=1S/C30H29NO2/c32-28(19-17-26-7-6-21-31-23-26)18-16-24-12-14-25(15-13-24)20-22-33-30-11-5-4-10-29(30)27-8-2-1-3-9-27/h1-15,21,23H,16-20,22H2
InChIKeyPUZMUPKFGXLFHE-UHFFFAOYSA-N
XLogP6.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(2-phenylphenoxy)-1-pyridin-3-ylundecan-3-one
CID 147752746
N-(6-oxo-8-pyridin-3-yloctyl)-2-(2-phenylphenoxy)acetamide
CID 149030171
1-[4-[(4-hydroxy-2-phenylphenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158616278
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
3-[2-[2-[4-(2-oxo-4-pyridin-3-ylbutyl)phenoxy]ethyl]phenyl]benzoic acid
CID 149033960
1-[4-[(2-phenylphenyl)sulfinylmethyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 160725556
1-[4-[(3-fluoro-2-phenylphenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 157283827
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
3-[3-[2-(2-phenylphenoxy)ethoxy]phenyl]propanoic acid
CID 22686429
1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105128590

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one?
The IUPAC name of 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one (CID 161218942) is 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one.
What is the SMILES notation for 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one?
The canonical SMILES for 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one is O=C(CCc1ccc(CCOc2ccccc2-c2ccccc2)cc1)CCc1cccnc1.
What is the InChIKey of 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one?
The InChIKey is PUZMUPKFGXLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c32-28(19-17-26-7-6-21-31-23-26)18-16-24-12-14-25(15-13-24)20-22-33-30-11-5-4-10-29(30)27-8-2-1-3-9-27/h1-15,21,23H,16-20,22H2.
What are the key properties of 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one?
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one has a molecular weight of 435.57 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one is sourced from PubChem (CID 161218942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).