(2-propoxyphenyl)-pyridin-4-ylmethanone

C15H15NO2 — CID 113438187

IUPAC(2-propoxyphenyl)-pyridin-4-ylmethanone
SMILESCCCOc1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C15H15NO2/c1-2-11-18-14-6-4-3-5-13(14)15(17)12-7-9-16-10-8-12/h3-10H,2,11H2,1H3
InChIKeyAMHMSVXCYPBPAM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.10
Rot. Bonds5

About (2-propoxyphenyl)-pyridin-4-ylmethanone

(2-propoxyphenyl)-pyridin-4-ylmethanone (PubChem CID 113438187) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-propoxyphenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-propoxyphenyl)-pyridin-4-ylmethanone
PubChem CID113438187
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2-propoxyphenyl)-pyridin-4-ylmethanone
SMILESCCCOc1ccccc1C(=O)c1ccncc1
InChIInChI=1S/C15H15NO2/c1-2-11-18-14-6-4-3-5-13(14)15(17)12-7-9-16-10-8-12/h3-10H,2,11H2,1H3
InChIKeyAMHMSVXCYPBPAM-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
CID 105128629
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
(2-propoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125295

Frequently Asked Questions

What is the IUPAC name of (2-propoxyphenyl)-pyridin-4-ylmethanone?
The IUPAC name of (2-propoxyphenyl)-pyridin-4-ylmethanone (CID 113438187) is (2-propoxyphenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-propoxyphenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-propoxyphenyl)-pyridin-4-ylmethanone is CCCOc1ccccc1C(=O)c1ccncc1.
What is the InChIKey of (2-propoxyphenyl)-pyridin-4-ylmethanone?
The InChIKey is AMHMSVXCYPBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-11-18-14-6-4-3-5-13(14)15(17)12-7-9-16-10-8-12/h3-10H,2,11H2,1H3.
What are the key properties of (2-propoxyphenyl)-pyridin-4-ylmethanone?
(2-propoxyphenyl)-pyridin-4-ylmethanone has a molecular weight of 241.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propoxyphenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 113438187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).