(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone

C17H17NO2 — CID 105134467

IUPAC(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC3CC3)c2)c(C)n1
InChIInChI=1S/C17H17NO2/c1-11-6-9-16(12(2)18-11)17(19)13-4-3-5-15(10-13)20-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyKTEXZRDRRIOWOU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.47
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone

(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 105134467) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID105134467
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC3CC3)c2)c(C)n1
InChIInChI=1S/C17H17NO2/c1-11-6-9-16(12(2)18-11)17(19)13-4-3-5-15(10-13)20-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyKTEXZRDRRIOWOU-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813157
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(4-chloro-2,5-difluorophenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813318
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone (CID 105134467) is (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc(OC3CC3)c2)c(C)n1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is KTEXZRDRRIOWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-6-9-16(12(2)18-11)17(19)13-4-3-5-15(10-13)20-14-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone?
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 105134467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).