(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone

C15H15NO2 — CID 115000096

IUPAC(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
SMILESCCOc1ccc(C)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H15NO2/c1-3-18-14-7-6-11(2)9-13(14)15(17)12-5-4-8-16-10-12/h4-10H,3H2,1-2H3
InChIKeyOIMRVNMAIQUNDQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.02
Rot. Bonds4

About (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone

(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone (PubChem CID 115000096) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
PubChem CID115000096
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
SMILESCCOc1ccc(C)cc1C(=O)c1cccnc1
InChIInChI=1S/C15H15NO2/c1-3-18-14-7-6-11(2)9-13(14)15(17)12-5-4-8-16-10-12/h4-10H,3H2,1-2H3
InChIKeyOIMRVNMAIQUNDQ-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone?
The IUPAC name of (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone (CID 115000096) is (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone is CCOc1ccc(C)cc1C(=O)c1cccnc1.
What is the InChIKey of (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone?
The InChIKey is OIMRVNMAIQUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-14-7-6-11(2)9-13(14)15(17)12-5-4-8-16-10-12/h4-10H,3H2,1-2H3.
What are the key properties of (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone?
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone has a molecular weight of 241.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 115000096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).