1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone

C17H19NO — CID 97356056

IUPAC1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCc2ccncc2)cc1
InChIInChI=1S/C17H19NO/c1-14(19)17-8-6-15(7-9-17)4-2-3-5-16-10-12-18-13-11-16/h6-13H,2-5H2,1H3
InChIKeyIPSQWVLFCQEHHR-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.85
Rot. Bonds6

About 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone

1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone (PubChem CID 97356056) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
PubChem CID97356056
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
SMILESCC(=O)c1ccc(CCCCc2ccncc2)cc1
InChIInChI=1S/C17H19NO/c1-14(19)17-8-6-15(7-9-17)4-2-3-5-16-10-12-18-13-11-16/h6-13H,2-5H2,1H3
InChIKeyIPSQWVLFCQEHHR-UHFFFAOYSA-N
XLogP3.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
[[4-(4-pyridin-4-ylbutyl)benzoyl]amino]methyl acetate
CID 57165428
1H-imidazole;1-(4-pentylphenyl)ethanone
CID 174356985
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
butane;1-pyridin-4-ylethanone
CID 174655632
1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
3-pyridin-4-ylpropyl 4-(methylsulfanylmethyl)benzoate
CID 86917993
6-pyridin-4-ylhexanoic acid
CID 12904562
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
3-(4-acetylphenyl)propanal
CID 11030349

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone (CID 97356056) is 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone is CC(=O)c1ccc(CCCCc2ccncc2)cc1.
What is the InChIKey of 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone?
The InChIKey is IPSQWVLFCQEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(19)17-8-6-15(7-9-17)4-2-3-5-16-10-12-18-13-11-16/h6-13H,2-5H2,1H3.
What are the key properties of 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone?
1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone is sourced from PubChem (CID 97356056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).