6-phenyl-1-pyridin-4-ylhexan-3-one

C17H19NO — CID 105093114

IUPAC6-phenyl-1-pyridin-4-ylhexan-3-one
SMILESO=C(CCCc1ccccc1)CCc1ccncc1
InChIInChI=1S/C17H19NO/c19-17(10-9-16-11-13-18-14-12-16)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-14H,4,7-10H2
InChIKeyOCTRLJGSJTYQMD-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.61
Rot. Bonds7

About 6-phenyl-1-pyridin-4-ylhexan-3-one

6-phenyl-1-pyridin-4-ylhexan-3-one (PubChem CID 105093114) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-phenyl-1-pyridin-4-ylhexan-3-one.

Molecular Properties

Compound Name6-phenyl-1-pyridin-4-ylhexan-3-one
PubChem CID105093114
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name6-phenyl-1-pyridin-4-ylhexan-3-one
SMILESO=C(CCCc1ccccc1)CCc1ccncc1
InChIInChI=1S/C17H19NO/c19-17(10-9-16-11-13-18-14-12-16)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-14H,4,7-10H2
InChIKeyOCTRLJGSJTYQMD-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
1,9-diphenylnonan-5-one
CID 23467830
8-amino-1-phenyloctan-4-one
CID 116571907
4-pyridin-4-ylbutanethioic S-acid
CID 87873315
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
7-chloro-1-phenylheptan-3-one
CID 57471587
1-[4-(2-phenylethylsulfonyl)phenyl]-4-pyridin-4-ylbutan-2-one
CID 158930163
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
6-pyridin-4-ylhexanoic acid
CID 12904562
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-pyridin-4-ylhexan-3-one?
The IUPAC name of 6-phenyl-1-pyridin-4-ylhexan-3-one (CID 105093114) is 6-phenyl-1-pyridin-4-ylhexan-3-one.
What is the SMILES notation for 6-phenyl-1-pyridin-4-ylhexan-3-one?
The canonical SMILES for 6-phenyl-1-pyridin-4-ylhexan-3-one is O=C(CCCc1ccccc1)CCc1ccncc1.
What is the InChIKey of 6-phenyl-1-pyridin-4-ylhexan-3-one?
The InChIKey is OCTRLJGSJTYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(10-9-16-11-13-18-14-12-16)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,11-14H,4,7-10H2.
What are the key properties of 6-phenyl-1-pyridin-4-ylhexan-3-one?
6-phenyl-1-pyridin-4-ylhexan-3-one has a molecular weight of 253.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-pyridin-4-ylhexan-3-one is sourced from PubChem (CID 105093114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).