(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone

C16H15NO2 — CID 105134421

IUPAC(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C16H15NO2/c1-11-5-6-13(10-17-11)16(18)12-3-2-4-15(9-12)19-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3
InChIKeyYLNWFOLQGKVMMV-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.16
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone

(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 105134421) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID105134421
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C16H15NO2/c1-11-5-6-13(10-17-11)16(18)12-3-2-4-15(9-12)19-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3
InChIKeyYLNWFOLQGKVMMV-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 114971543
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105134467
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813157
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
3-[[(1S,5R)-8-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52944974
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)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone (CID 105134421) is (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc(OC3CC3)c2)cn1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is YLNWFOLQGKVMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-5-6-13(10-17-11)16(18)12-3-2-4-15(9-12)19-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone?
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 253.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105134421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).