4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one

C18H21NO2 — CID 105124809

IUPAC4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(2)21-17-11-16(12-19-13-17)18(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyPBCFTRGDCLBTTG-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.07
Rot. Bonds7

About 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one

4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (PubChem CID 105124809) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
PubChem CID105124809
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
SMILESCC(C)Oc1cncc(C(=O)CCCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(2)21-17-11-16(12-19-13-17)18(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyPBCFTRGDCLBTTG-UHFFFAOYSA-N
XLogP4.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105124806
1-(5-methyl-3-pyridinyl)-4-phenylbutan-1-one
CID 105093184
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116751567
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
(4R)-4-hydroxy-1-(5-propan-2-yloxy-3-pyridinyl)-4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]butan-1-one;dihydrochloride
CID 160722144
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The IUPAC name of 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one (CID 105124809) is 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is CC(C)Oc1cncc(C(=O)CCCc2ccccc2)c1.
What is the InChIKey of 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
The InChIKey is PBCFTRGDCLBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(2)21-17-11-16(12-19-13-17)18(20)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-14H,6,9-10H2,1-2H3.
What are the key properties of 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one?
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one has a molecular weight of 283.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one is sourced from PubChem (CID 105124809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).