1-phenyl-7-pyridin-3-ylheptan-4-one

C18H21NO — CID 12701571

IUPAC1-phenyl-7-pyridin-3-ylheptan-4-one
SMILESO=C(CCCc1ccccc1)CCCc1cccnc1
InChIInChI=1S/C18H21NO/c20-18(12-4-9-16-7-2-1-3-8-16)13-5-10-17-11-6-14-19-15-17/h1-3,6-8,11,14-15H,4-5,9-10,12-13H2
InChIKeyFBHIFTVFUYHMCG-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.00
Rot. Bonds8

About 1-phenyl-7-pyridin-3-ylheptan-4-one

1-phenyl-7-pyridin-3-ylheptan-4-one (PubChem CID 12701571) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-phenyl-7-pyridin-3-ylheptan-4-one.

Molecular Properties

Compound Name1-phenyl-7-pyridin-3-ylheptan-4-one
PubChem CID12701571
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-phenyl-7-pyridin-3-ylheptan-4-one
SMILESO=C(CCCc1ccccc1)CCCc1cccnc1
InChIInChI=1S/C18H21NO/c20-18(12-4-9-16-7-2-1-3-8-16)13-5-10-17-11-6-14-19-15-17/h1-3,6-8,11,14-15H,4-5,9-10,12-13H2
InChIKeyFBHIFTVFUYHMCG-UHFFFAOYSA-N
XLogP4.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
1,9-diphenylnonan-5-one
CID 23467830
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-pyridin-3-ylheptan-4-one?
The IUPAC name of 1-phenyl-7-pyridin-3-ylheptan-4-one (CID 12701571) is 1-phenyl-7-pyridin-3-ylheptan-4-one.
What is the SMILES notation for 1-phenyl-7-pyridin-3-ylheptan-4-one?
The canonical SMILES for 1-phenyl-7-pyridin-3-ylheptan-4-one is O=C(CCCc1ccccc1)CCCc1cccnc1.
What is the InChIKey of 1-phenyl-7-pyridin-3-ylheptan-4-one?
The InChIKey is FBHIFTVFUYHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(12-4-9-16-7-2-1-3-8-16)13-5-10-17-11-6-14-19-15-17/h1-3,6-8,11,14-15H,4-5,9-10,12-13H2.
What are the key properties of 1-phenyl-7-pyridin-3-ylheptan-4-one?
1-phenyl-7-pyridin-3-ylheptan-4-one has a molecular weight of 267.37 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-pyridin-3-ylheptan-4-one is sourced from PubChem (CID 12701571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).