[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone

C16H17NO — CID 116543089

IUPAC[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
SMILESCC(C)Cc1cccc(C(=O)c2ccncc2)c1
InChIInChI=1S/C16H17NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-9,11-12H,10H2,1-2H3
InChIKeyUSVIVOZWVGXMMJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.51
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone

[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone (PubChem CID 116543089) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
PubChem CID116543089
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
SMILESCC(C)Cc1cccc(C(=O)c2ccncc2)c1
InChIInChI=1S/C16H17NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-9,11-12H,10H2,1-2H3
InChIKeyUSVIVOZWVGXMMJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
3-(2-methylpropyl)benzamide
CID 23130390
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105134131
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(E)-1-[3-(2-methylpropyl)phenyl]but-2-en-1-one
CID 103453516

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone (CID 116543089) is [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone is CC(C)Cc1cccc(C(=O)c2ccncc2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone?
The InChIKey is USVIVOZWVGXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(2)10-13-4-3-5-15(11-13)16(18)14-6-8-17-9-7-14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone?
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone has a molecular weight of 239.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 116543089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).